methyl 2-(cyclohexylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-(cyclohexylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: 2-(cyclohexylamino)-4-keto-4-(2-nitroanilino)butyric acid methyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC2CCCCC2

Isomeric SMILES

COC(=O)C(CC(=O)NC1=CC=CC=C1[N+](=O)[O-])NC2CCCCC2

InChI

InChI=1S/C17H23N3O5/c1-25-17(22)14(18-12-7-3-2-4-8-12)11-16(21)19-13-9-5-6-10-15(13)20(23)24/h5-6,9-10,12,14,18H,2-4,7-8,11H2,1H3,(H,19,21)