[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C21H18BrFN2O3 MolecularWeight: 445.281623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H18BrFN2O3/c1-13-11-17(14(2)25(13)16-9-7-15(23)8-10-16)21(27)28-12-20(26)24-19-6-4-3-5-18(19)22/h3-11H,12H2,1-2H3,(H,24,26)