2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one IUPAC Name: 2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-propyl-3-pyrazolin-3-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-3-9-8-12(16)14(13-9)10-4-6-11(7-5-10)15(17)18/h4-8,13H,2-3H2,1H3