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

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-cyanoanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-cyanoanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-cyanoanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/c1-22-8-4-7-17-13(15(20)21)9-14(19)18-12-6-3-2-5-11(12)10-16/h2-3,5-6,13,17H,4,7-9H2,1H3,(H,18,19)(H,20,21)/t13-/m1/s1