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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-4-9-7-12(16)14(13-9)10-5-3-6-11(8-10)15(17)18/h3,5-6,8H,2,4,7H2,1H3