6-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]-3-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C16H15ClF3NO3 MolecularWeight: 361.74341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClF3NO3/c1-8-2-4-10(11(6-8)15(23)24)14(22)21-13-7-9(16(18,19)20)3-5-12(13)17/h2-3,5,7,10-11H,4,6H2,1H3,(H,21,22)(H,23,24)