[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O3/c22-16-8-4-5-9-17(16)23-20(26)13-28-21(27)19-12-18(14-10-11-14)24-25(19)15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,23,26)