2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-propyl-4H-pyrazol-3-one Openeye Name: 2-(1-oxidopyridin-1-ium-3-carbonyl)-5-propyl-4H-pyrazol-3-one CAS Name: 2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-(1-oxidopyridin-1-ium-3-carbonyl)-5-propyl-4H-pyrazol-3-one Traditional Name: 2-(1-oxidopyridin-1-ium-3-carbonyl)-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)C(=O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

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

InChI

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