[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C16H13F2NO4 MolecularWeight: 321.275526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)C

InChI

InChI=1S/C16H13F2NO4/c1-9(20)11-6-14(19(2)7-11)16(22)23-8-15(21)10-3-4-12(17)13(18)5-10/h3-7H,8H2,1-2H3