ethyl 2-phthalazin-2-ium-2-ylethanoate

Systemtic Name: ethyl 2-phthalazin-2-ium-2-ylethanoate Openeye Name: ethyl 2-phthalazin-2-ium-2-ylacetate CAS Name: 2-(2-phthalazin-2-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-phthalazin-2-ium-2-ylacetate Traditional Name: 2-phthalazin-2-ium-2-ylacetic acid ethyl ester Formula: C12H13N2O2+ MolecularWeight: 217.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C12H13N2O2/c1-2-16-12(15)9-14-8-11-6-4-3-5-10(11)7-13-14/h3-8H,2,9H2,1H3/q+1