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

Systemtic Name: [3-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-nitrobenzoate Openeye Name: [3-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] ester IUPAC Name: [3-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]phenyl] ester Formula: C34H27N5O6 MolecularWeight: 601.60808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])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(=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C34H27N5O6/c1-21-29(32(40)37(35-21)25-11-5-3-6-12-25)31(30-22(2)36-38(33(30)41)26-13-7-4-8-14-26)24-10-9-15-28(20-24)45-34(42)23-16-18-27(19-17-23)39(43)44/h3-20,31,35-36H,1-2H3