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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)Br

InChI

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