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

Systemtic Name: 2,5-dimethyl-4-(3-nitrophenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(3-nitrobenzoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(3-nitrophenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(3-nitrobenzoyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(3-nitrobenzoyl)-3-pyrazolin-3-one Formula: C12H11N3O4 MolecularWeight: 261.23344

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-7-10(12(17)14(2)13-7)11(16)8-4-3-5-9(6-8)15(18)19/h3-6,13H,1-2H3