methyl (3S)-4-[(4-methoxy-2-nitro-phenyl)amino]-3-(4-methylpiperidin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-4-[(4-methoxy-2-nitro-phenyl)amino]-3-(4-methylpiperidin-1-yl)-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-4-(4-methoxy-2-nitro-anilino)-3-(4-methyl-1-piperidyl)-4-oxo-butanoate CAS Name: (3S)-4-(4-methoxy-2-nitroanilino)-3-(4-methyl-1-piperidinyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-4-(4-methoxy-2-nitroanilino)-3-(4-methylpiperidin-1-yl)-4-oxobutanoate Traditional Name: (3S)-4-keto-4-(4-methoxy-2-nitro-anilino)-3-(4-methylpiperidino)butyric acid methyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CC(=O)OC)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)[C@@H](CC(=O)OC)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6/c1-12-6-8-20(9-7-12)16(11-17(22)27-3)18(23)19-14-5-4-13(26-2)10-15(14)21(24)25/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,23)/t16-/m0/s1