2,5-dimethyl-4-(3-methyl-4-nitro-phenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-(3-methyl-4-nitro-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(3-methyl-4-nitro-benzoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(3-methyl-4-nitrobenzoyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(3-methyl-4-nitro-benzoyl)-3-pyrazolin-3-one Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-7-6-9(4-5-10(7)16(19)20)12(17)11-8(2)14-15(3)13(11)18/h4-6,14H,1-3H3