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

Systemtic Name: (2R)-4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(2-chloroanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(2-chloroanilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CN=CC=C2)Cl

InChI

InChI=1S/C16H16ClN3O3/c17-12-5-1-2-6-13(12)20-15(21)8-14(16(22)23)19-10-11-4-3-7-18-9-11/h1-7,9,14,19H,8,10H2,(H,20,21)(H,22,23)/t14-/m1/s1