3,5-dimethyl-4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3,5-dimethyl-4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: 3,5-dimethyl-4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-1-oxo-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-1H-pyrrole-2-carboxylate IUPAC Name: 3,5-dimethyl-4-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-[3-(trifluoromethyl)phenyl]acryloyl]-1H-pyrrole-2-carboxylate Formula: C17H13F3NO3- MolecularWeight: 336.28523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=CC=C2)C(F)(F)F)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F)C)C(=O)[O-]

InChI

InChI=1S/C17H14F3NO3/c1-9-14(10(2)21-15(9)16(23)24)13(22)7-6-11-4-3-5-12(8-11)17(18,19)20/h3-8,21H,1-2H3,(H,23,24)/p-1/b7-6+