[4-[[(5,5-diphenyl-1,2-dihydropyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 2-bromanylbenzoate Openeye Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazole-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[[[(5,5-diphenyl-1,2-dihydropyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazole-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[[(5,5-diphenyl-3-pyrazoline-3-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C31H25BrN4O4 MolecularWeight: 597.4586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(NN2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(NN2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C31H25BrN4O4/c1-39-28-18-21(16-17-27(28)40-30(38)24-14-8-9-15-25(24)32)20-33-35-29(37)26-19-31(36-34-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20,34,36H,1H3,(H,35,37)