1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[5-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[3-(2-nitrophenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(=N1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCC(=N1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-12(16)14-8-7-10(13-14)9-5-3-4-6-11(9)15(17)18/h3-6H,2,7-8H2,1H3