(2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(3-chloroanilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloroanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(3-chloroanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(3-chloroanilino)-4-keto-butyrate Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)[O-]

Isomeric SMILES

C=CC[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C13H15ClN2O3/c1-2-6-15-11(13(18)19)8-12(17)16-10-5-3-4-9(14)7-10/h2-5,7,11,15H,1,6,8H2,(H,16,17)(H,18,19)/t11-/m1/s1