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

Systemtic Name: 5,5-dimethyl-2-[[5-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[5-(3-nitrophenyl)-1H-pyrazol-4-yl]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[5-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[5-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[5-(3-nitrophenyl)-1H-pyrazol-4-yl]methylene]cyclohexane-1,3-quinone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CC2=C(NN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CC2=C(NN=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C18H17N3O4/c1-18(2)8-15(22)14(16(23)9-18)7-12-10-19-20-17(12)11-4-3-5-13(6-11)21(24)25/h3-7,10H,8-9H2,1-2H3,(H,19,20)