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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > nitecapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > nitecapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > nitecapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > nitecapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > nitecapone

Preferred term

nitecapone  

Type

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

Broader concept

charge

  • 0

formula

  • C12H11NO6

inchi

  • InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3

inchikey

  • UPMRZALMHVUCIN-UHFFFAOYSA-N

mass

  • 265.221

monoisotopicmass

  • 265.05864

smiles

  • OC1=C([N+]([O-])=O)C=C(C=C(C(=O)C)C(=O)C)C=C1O

subset

  • 2_STAR

synonym EXACT

  • 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166596

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