(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-(3,5-dinitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-(3,5-dinitrophenyl)methanone Openeye Name: (3,5-dinitrophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone CAS Name: (3,5-dinitrophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone IUPAC Name: (3,5-dinitrophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone Traditional Name: (3,5-dinitrophenyl)-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)methanone Formula: C12H12N4O6 MolecularWeight: 308.24688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O6/c1-7-6-12(2,18)14(13-7)11(17)8-3-9(15(19)20)5-10(4-8)16(21)22/h3-5,18H,6H2,1-2H3