5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one Openeye Name: 5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one CAS Name: 5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one IUPAC Name: 5-(3-nitrophenyl)-4-octyl-1,2-dihydropyrazol-3-one Traditional Name: 5-(3-nitrophenyl)-4-octyl-3-pyrazolin-3-one Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NNC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(NNC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-2-3-4-5-6-7-11-15-16(18-19-17(15)21)13-9-8-10-14(12-13)20(22)23/h8-10,12H,2-7,11H2,1H3,(H2,18,19,21)