5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]cyclohexane-1,3-quinone Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C24H21N3O4/c1-24(2)13-21(28)20(22(29)14-24)12-17-15-26(18-8-4-3-5-9-18)25-23(17)16-7-6-10-19(11-16)27(30)31/h3-12,15H,13-14H2,1-2H3