6-[[3,5-bis(chloranyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3,5-bis(chloranyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3,5-dichlorophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[(3,5-dichloroanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3,5-dichlorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3,5-dichlorophenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H17Cl2NO3 MolecularWeight: 342.21708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O)C

InChI

InChI=1S/C16H17Cl2NO3/c1-8-3-13(14(16(21)22)4-9(8)2)15(20)19-12-6-10(17)5-11(18)7-12/h5-7,13-14H,3-4H2,1-2H3,(H,19,20)(H,21,22)