(2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid

Systemtic Name: (2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(prop-2-enylamino)butanoic acid Openeye Name: (2R)-2-(allylamino)-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid IUPAC Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid Traditional Name: (2R)-2-(allylamino)-4-(3-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C14H17ClN2O3 MolecularWeight: 296.74938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)NCC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)O)NCC=C

InChI

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