4-ethanoyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-ethanoyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-acetyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-acetyl-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-5-methyl-2-(4-nitrophenyl)-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)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

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

InChI

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