4-ethanoyl-5-[(2-nitrophenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-ethanoyl-5-[(2-nitrophenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-acetyl-5-[(2-nitrophenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 4-acetyl-5-[(2-nitrophenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-acetyl-5-[(2-nitrophenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-acetyl-5-(2-nitrobenzyl)-3-pyrazolin-3-one Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NNC1=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(NNC1=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-7(16)11-9(13-14-12(11)17)6-8-4-2-3-5-10(8)15(18)19/h2-5H,6H2,1H3,(H2,13,14,17)