(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(3-chloro-4-methyl-anilino)-4-keto-butyrate Formula: C14H17ClN2O3 MolecularWeight: 296.74938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC=C)Cl

InChI

InChI=1S/C14H17ClN2O3/c1-3-6-16-12(14(19)20)8-13(18)17-10-5-4-9(2)11(15)7-10/h3-5,7,12,16H,1,6,8H2,2H3,(H,17,18)(H,19,20)/t12-/m1/s1