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

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-4-methyl-anilino)-2-(2-hydroxyethylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-4-methylanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-4-methylanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-4-methyl-anilino)-2-(2-hydroxyethylamino)-4-keto-butyric acid Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4/c1-8-2-3-9(6-10(8)14)16-12(18)7-11(13(19)20)15-4-5-17/h2-3,6,11,15,17H,4-5,7H2,1H3,(H,16,18)(H,19,20)