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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > entacapone
organooxygen compound > carboxamide > monocarboxylic acid amide > entacapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > entacapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > entacapone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > entacapone
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > entacapone
organic aromatic compound > phenols > benzenediols > catechols > entacapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > entacapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone
... > organic aromatic compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > nitrophenol > mononitrophenol > 2-nitrophenols > entacapone

Preferred term

entacapone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C14H15N3O5

has_role

inchi

  • InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

inchikey

  • JRURYQJSLYLRLN-BJMVGYQFSA-N

mass

  • 305.28612

monoisotopicmass

  • 305.10117

smiles

  • CCN(CC)C(=O)C(/C#N)=C/c1cc(O)c(O)c(c1)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
  • Entacapone

synonym RELATED

  • Comtan
  • Comtess
  • (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide
  • entacapona
  • entacapone
  • entacaponum
  • N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4798

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