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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC=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)