(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(2-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(2-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(pyridin-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-(2-pyridylmethylammonio)butyrate Formula: C16H16N4O5 MolecularWeight: 344.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H16N4O5/c21-15(19-11-5-3-6-13(8-11)20(24)25)9-14(16(22)23)18-10-12-4-1-2-7-17-12/h1-8,14,18H,9-10H2,(H,19,21)(H,22,23)/t14-/m1/s1