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

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C17H16N4O3 MolecularWeight: 324.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3/c18-9-13-5-1-2-6-14(13)21-16(22)8-15(17(23)24)20-11-12-4-3-7-19-10-12/h1-7,10,15,20H,8,11H2,(H,21,22)(H,23,24)/t15-/m1/s1