5-[(5-chloranyl-2-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(5-chloranyl-2-methyl-phenyl)amino]-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-chloro-2-methyl-anilino)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(5-chloro-2-methylanilino)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(5-chloro-2-methylanilino)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(5-chloro-2-methyl-anilino)-5-keto-3-methyl-valeric acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-8(6-13(17)18)5-12(16)15-11-7-10(14)4-3-9(11)2/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)(H,17,18)