[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(cyclohexylamino)-4-oxo-butanoate CAS Name: 4-(cyclohexylamino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate Traditional Name: 4-(cyclohexylamino)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H24N2O6 MolecularWeight: 376.40366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O6/c1-13-7-8-14(11-16(13)21(25)26)17(22)12-27-19(24)10-9-18(23)20-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12H2,1H3,(H,20,23)