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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(dimethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-2-(dimethylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-2-(dimethylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-2-(dimethylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-2-(dimethylamino)-4-keto-butyric acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3/c1-8-9(14)5-4-6-10(8)15-12(17)7-11(13(18)19)16(2)3/h4-6,11H,7H2,1-3H3,(H,15,17)(H,18,19)