skip to main content

Chemistry, part 3

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nitro compound > c-nitro compound > 2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > 2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester

Preferred term

2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22N2O5S

inchi

  • InChI=1S/C20H22N2O5S/c1-2-27-20(24)17-16(14-9-6-10-15(11-14)22(25)26)12-28-19(17)21-18(23)13-7-4-3-5-8-13/h6,9-13H,2-5,7-8H2,1H3,(H,21,23)

inchikey

  • DRUIZNXKHLVTGP-UHFFFAOYSA-N

mass

  • 402.466

monoisotopicmass

  • 402.12494

smiles

  • CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCCCC3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105668

Download this concept:

RDF/XML TURTLE JSON-LD