[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C17H15F2NO4 MolecularWeight: 335.302106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2NO4/c1-8-15(10(3)21)9(2)20-16(8)14(22)7-24-17(23)11-4-12(18)6-13(19)5-11/h4-6,20H,7H2,1-3H3