2-azanyl-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-(5-chloro-2-methyl-anilino)-4-oxo-butanoic acid CAS Name: 2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid IUPAC Name: 2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid Traditional Name: 2-amino-4-(5-chloro-2-methyl-anilino)-4-keto-butyric acid Formula: C11H13ClN2O3 MolecularWeight: 256.68552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O3/c1-6-2-3-7(12)4-9(6)14-10(15)5-8(13)11(16)17/h2-4,8H,5,13H2,1H3,(H,14,15)(H,16,17)