(2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(propylammonio)butanoate CAS Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(propylammonio)butyrate Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

Isomeric SMILES

CCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-2-7-16-12(14(19)20)8-13(18)17-11-6-4-3-5-10(11)9-15/h3-6,12,16H,2,7-8H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1