5-methyl-2-(3-nitrophenyl)carbonyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(3-nitrophenyl)carbonyl-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(3-nitrobenzoyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-[(3-nitrophenyl)-oxomethyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(3-nitrobenzoyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-2-(3-nitrobenzoyl)-2-pyrazolin-3-one Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4/c1-7-5-10(15)13(12-7)11(16)8-3-2-4-9(6-8)14(17)18/h2-4,6H,5H2,1H3