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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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