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

Systemtic Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazole-3-carbonyl)hydrazono]methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[[[(5,5-diphenyl-1,2-dihydropyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[[(5,5-diphenyl-1,2-dihydropyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[[(5,5-diphenyl-3-pyrazoline-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C30H23BrN4O3 MolecularWeight: 567.43262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C=C(NN2)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2(C=C(NN2)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C30H23BrN4O3/c31-25-13-7-8-22(18-25)29(37)38-26-16-14-21(15-17-26)20-32-34-28(36)27-19-30(35-33-27,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-20,33,35H,(H,34,36)