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

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(2-cyanoanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(2-cyanoanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(2-cyanoanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-(2-cyanoanilino)-4-keto-butyrate Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c1-2-3-8-17-13(15(20)21)9-14(19)18-12-7-5-4-6-11(12)10-16/h4-7,13,17H,2-3,8-9H2,1H3,(H,18,19)(H,20,21)/t13-/m1/s1