4-[(4-hexoxyphenyl)-[2-(4-nitrophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-hexoxyphenyl)-[2-(4-nitrophenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(4-hexoxyphenyl)-[2-(4-nitrophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-hexoxyphenyl)-[2-(4-nitrophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(4-hexoxyphenyl)-[2-(4-nitrophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-hexoxyphenyl)-[5-keto-1-(4-nitrophenyl)-3-phenyl-3-pyrazolin-4-yl]methyl]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolin-3-one Formula: C43H38N6O7 MolecularWeight: 750.79782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=C(NN(C5=O)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C43H38N6O7/c1-2-3-4-11-28-56-36-26-16-29(17-27-36)37(38-40(30-12-7-5-8-13-30)44-46(42(38)50)32-18-22-34(23-19-32)48(52)53)39-41(31-14-9-6-10-15-31)45-47(43(39)51)33-20-24-35(25-21-33)49(54)55/h5-10,12-27,37,44-45H,2-4,11,28H2,1H3