methyl 4-[(4-chlorophenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-[(4-chlorophenyl)amino]-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(4-chloroanilino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-chloroanilino)-6,6-dimethyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chloroanilino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-chloroanilino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1C(=O)OC)NC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1C(=O)OC)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H18ClNO3/c1-16(2)9-12(8-13(19)14(16)15(20)21-3)18-11-6-4-10(17)5-7-11/h4-8,14,18H,9H2,1-3H3