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

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(2-methoxyethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(2-methoxyethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(2-methoxyethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(2-methoxyethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(2-methoxyethylammonio)butyrate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-21-7-6-16-12(14(19)20)8-13(18)17-11-5-3-2-4-10(11)9-15/h2-5,12,16H,6-8H2,1H3,(H,17,18)(H,19,20)/t12-/m1/s1