5-[(3-chloranyl-4-methyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-chloro-4-methyl-anilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(3-chloro-4-methylanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3-chloro-4-methylanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3-chloro-4-methyl-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3/c1-9-4-5-10(6-11(9)15)16-12(17)7-14(2,3)8-13(18)19/h4-6H,7-8H2,1-3H3,(H,16,17)(H,18,19)