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

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(3-nitro-4-oxidanyl-phenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(4-hydroxy-3-nitro-phenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(4-hydroxy-3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-hydroxy-3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H27N5O5 MolecularWeight: 525.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

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