[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H16BrFN2O4 MolecularWeight: 411.222343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H16BrFN2O4/c1-8-15(10(3)22)9(2)20-16(8)17(24)25-7-14(23)21-13-5-4-11(18)6-12(13)19/h4-6,20H,7H2,1-3H3,(H,21,23)