[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C24H18BrN3O3 MolecularWeight: 476.32202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H18BrN3O3/c25-18-11-13-19(14-12-18)26-23(29)16-31-24(30)22-15-21(17-7-3-1-4-8-17)27-28(22)20-9-5-2-6-10-20/h1-15H,16H2,(H,26,29)