methyl (3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: methyl (3R)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: methyl (3R)-4-(4-nitroanilino)-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3R)-4-(4-nitroanilino)-4-oxo-3-(1-pyrrolidin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl (3R)-4-(4-nitroanilino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3R)-4-keto-4-(4-nitroanilino)-3-pyrrolidin-1-ium-1-yl-butyric acid methyl ester Formula: C15H20N3O5+ MolecularWeight: 322.3364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

COC(=O)C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C15H19N3O5/c1-23-14(19)10-13(17-8-2-3-9-17)15(20)16-11-4-6-12(7-5-11)18(21)22/h4-7,13H,2-3,8-10H2,1H3,(H,16,20)/p+1/t13-/m1/s1