ethyl 1-[4-[(2-methylphenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(2-methylphenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(o-tolylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(2-methylanilino)-oxomethyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-methylphenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(o-tolylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H18F3N3O3 MolecularWeight: 417.38113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-3-30-20(29)16-12-25-27(18(16)21(22,23)24)15-10-8-14(9-11-15)19(28)26-17-7-5-4-6-13(17)2/h4-12H,3H2,1-2H3,(H,26,28)