5-heptyl-1-methyl-2-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 5-heptyl-1-methyl-2-(4-nitrophenyl)pyrazol-3-one Openeye Name: 5-heptyl-1-methyl-2-(4-nitrophenyl)pyrazol-3-one CAS Name: 5-heptyl-1-methyl-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 5-heptyl-1-methyl-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 5-heptyl-1-methyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-3-4-5-6-7-8-16-13-17(21)19(18(16)2)14-9-11-15(12-10-14)20(22)23/h9-13H,3-8H2,1-2H3