5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]-(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]-(5-nitro-2-oxidanyl-phenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one Openeye Name: 4-[(2-hydroxy-5-nitro-phenyl)-[3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]-5-methyl-2-(p-tolyl)-4H-pyrazol-3-one CAS Name: 4-[(2-hydroxy-5-nitrophenyl)-[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one IUPAC Name: 4-[(2-hydroxy-5-nitrophenyl)-[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one Traditional Name: 4-[(2-hydroxy-5-nitro-phenyl)-[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C29H27N5O5 MolecularWeight: 525.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=CC=C(C=C4)C)C)C5=C(C=CC(=C5)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(C3C(=NN(C3=O)C4=CC=C(C=C4)C)C)C5=C(C=CC(=C5)[N+](=O)[O-])O

InChI

InChI=1S/C29H27N5O5/c1-16-5-9-20(10-6-16)32-28(36)25(18(3)30-32)27(23-15-22(34(38)39)13-14-24(23)35)26-19(4)31-33(29(26)37)21-11-7-17(2)8-12-21/h5-15,25-27,35H,1-4H3