(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c21-16(19-13-7-4-8-14(9-13)20(24)25)10-15(17(22)23)18-11-12-5-2-1-3-6-12/h1-9,15,18H,10-11H2,(H,19,21)(H,22,23)/t15-/m1/s1