[3-(trifluoromethyl)phenyl]methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C17H16F3NO3 MolecularWeight: 339.30905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO3/c1-9-14(11(3)22)10(2)21-15(9)16(23)24-8-12-5-4-6-13(7-12)17(18,19)20/h4-7,21H,8H2,1-3H3