6-[(3-chloranyl-4-methyl-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-chloranyl-4-methyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-chloro-4-methyl-anilino)-6-oxo-hexanoic acid CAS Name: 6-(3-chloro-4-methylanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-chloro-4-methylanilino)-6-oxohexanoic acid Traditional Name: 6-(3-chloro-4-methyl-anilino)-6-keto-hexanoic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-9-6-7-10(8-11(9)14)15-12(16)4-2-3-5-13(17)18/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)