4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(3,5-dinitro-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)-(3,5-dinitro-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-3,5-dinitro-phenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(2-hydroxy-3,5-dinitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-hydroxy-3,5-dinitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-hydroxy-3,5-dinitro-phenyl)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H26N6O7 MolecularWeight: 570.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC(=C3O)[N+](=O)[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(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H26N6O7/c1-17-24(28(37)32(30(17)3)19-11-7-5-8-12-19)26(22-15-21(34(39)40)16-23(27(22)36)35(41)42)25-18(2)31(4)33(29(25)38)20-13-9-6-10-14-20/h5-16,26,36H,1-4H3