1-methyl-2-(3-nitrophenyl)-5-pentadecyl-pyrazol-3-one

Systemtic Name: 1-methyl-2-(3-nitrophenyl)-5-pentadecyl-pyrazol-3-one Openeye Name: 1-methyl-2-(3-nitrophenyl)-5-pentadecyl-pyrazol-3-one CAS Name: 1-methyl-2-(3-nitrophenyl)-5-pentadecyl-3-pyrazolone IUPAC Name: 1-methyl-2-(3-nitrophenyl)-5-pentadecylpyrazol-3-one Traditional Name: 1-methyl-2-(3-nitrophenyl)-5-pentadecyl-3-pyrazolin-3-one Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H39N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-21-25(29)27(26(22)2)23-18-16-19-24(20-23)28(30)31/h16,18-21H,3-15,17H2,1-2H3