[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(cyclohexylamino)-4-oxo-butanoate CAS Name: 4-(cyclohexylamino)-4-oxobutanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate Traditional Name: 4-(cyclohexylamino)-4-keto-butyric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C19H25N3O7 MolecularWeight: 407.4177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NC2CCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)NC2CCCCC2

InChI

InChI=1S/C19H25N3O7/c1-28-14-7-8-16(22(26)27)15(11-14)21-18(24)12-29-19(25)10-9-17(23)20-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,23)(H,21,24)