[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 5-(cyclohexylamino)-5-oxo-pentanoate CAS Name: 5-(cyclohexylamino)-5-oxopentanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate Traditional Name: 5-(cyclohexylamino)-5-keto-valeric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6/c1-14-10-11-15(12-17(14)22(26)27)18(23)13-28-20(25)9-5-8-19(24)21-16-6-3-2-4-7-16/h10-12,16H,2-9,13H2,1H3,(H,21,24)