4-(3,5-dinitrophenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-(3,5-dinitrophenyl)carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(3,5-dinitrobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(3,5-dinitrophenyl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(3,5-dinitrobenzoyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(3,5-dinitrobenzoyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6/c1-6-10(12(18)14(2)13-6)11(17)7-3-8(15(19)20)5-9(4-7)16(21)22/h3-5,13H,1-2H3