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

Systemtic Name: methyl (3S)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-yl-butanoate Openeye Name: methyl (3S)-4-(4-methyl-2-nitro-anilino)-4-oxo-3-pyrrolidin-1-yl-butanoate CAS Name: (3S)-4-(4-methyl-2-nitroanilino)-4-oxo-3-(1-pyrrolidinyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(4-methyl-2-nitroanilino)-4-oxo-3-pyrrolidin-1-ylbutanoate Traditional Name: (3S)-4-keto-4-(4-methyl-2-nitro-anilino)-3-pyrrolidino-butyric acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CC(=O)OC)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](CC(=O)OC)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-11-5-6-12(13(9-11)19(22)23)17-16(21)14(10-15(20)24-2)18-7-3-4-8-18/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,17,21)/t14-/m0/s1