3-(3-nitrophenyl)-4-nonyl-1,4-dihydropyrazol-5-one

Systemtic Name: 3-(3-nitrophenyl)-4-nonyl-1,4-dihydropyrazol-5-one Openeye Name: 3-(3-nitrophenyl)-4-nonyl-1,4-dihydropyrazol-5-one CAS Name: 3-(3-nitrophenyl)-4-nonyl-1,4-dihydropyrazol-5-one IUPAC Name: 3-(3-nitrophenyl)-4-nonyl-1,4-dihydropyrazol-5-one Traditional Name: 5-(3-nitrophenyl)-4-nonyl-2-pyrazolin-3-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1C(=NNC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC1C(=NNC1=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O3/c1-2-3-4-5-6-7-8-12-16-17(19-20-18(16)22)14-10-9-11-15(13-14)21(23)24/h9-11,13,16H,2-8,12H2,1H3,(H,20,22)