[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C34H27BrN4O4 MolecularWeight: 635.50658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H27BrN4O4/c1-21-29(32(40)38(36-21)24-11-5-3-6-12-24)31(30-22(2)37-39(33(30)41)25-13-7-4-8-14-25)23-17-19-26(20-18-23)43-34(42)27-15-9-10-16-28(27)35/h3-20,31,36-37H,1-2H3