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

Systemtic Name: methyl (3S)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: methyl (3S)-4-(2-methoxy-4-nitro-anilino)-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-(2-methoxy-4-nitroanilino)-4-oxo-3-(1-pyrrolidin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(2-methoxy-4-nitroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-keto-4-(2-methoxy-4-nitro-anilino)-3-pyrrolidin-1-ium-1-yl-butyric acid methyl ester Formula: C16H22N3O6+ MolecularWeight: 352.36238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(CC(=O)OC)[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](CC(=O)OC)[NH+]2CCCC2

InChI

InChI=1S/C16H21N3O6/c1-24-14-9-11(19(22)23)5-6-12(14)17-16(21)13(10-15(20)25-2)18-7-3-4-8-18/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,17,21)/p+1/t13-/m0/s1