propyl 2-oxidanidyl-1-phenyl-pyrazol-2-ium-3-carboxylate

Systemtic Name: propyl 2-oxidanidyl-1-phenyl-pyrazol-2-ium-3-carboxylate Openeye Name: propyl 2-oxido-1-phenyl-pyrazol-2-ium-3-carboxylate CAS Name: 2-oxido-1-phenyl-3-pyrazol-2-iumcarboxylic acid propyl ester IUPAC Name: propyl 2-oxido-1-phenylpyrazol-2-ium-3-carboxylate Traditional Name: 2-oxido-1-phenyl-pyrazol-2-ium-3-carboxylic acid propyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-2-10-18-13(16)12-8-9-14(15(12)17)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3