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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)[N+](=O)[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=C(C=CC(=C3)[N+](=O)[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)20-11-7-5-8-12-20)27(23-17-22(34(38)39)15-16-24(23)35)26-19(2)31(4)33(29(26)37)21-13-9-6-10-14-21/h5-17,27,35H,1-4H3