[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H13BrFN3O3 MolecularWeight: 418.216523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C18H13BrFN3O3/c19-12-3-1-11(2-4-12)15-9-16(23-22-15)18(25)26-10-17(24)21-14-7-5-13(20)6-8-14/h1-9H,10H2,(H,21,24)(H,22,23)