[3-(4-cyanophenyl)-6-oxidanylidene-1H-pyridazin-5-yl] hydrogen carbonate

Systemtic Name: [3-(4-cyanophenyl)-6-oxidanylidene-1H-pyridazin-5-yl] hydrogen carbonate Openeye Name: [3-(4-cyanophenyl)-6-oxo-1H-pyridazin-5-yl] hydrogen carbonate CAS Name: carbonic acid [3-(4-cyanophenyl)-6-oxo-1H-pyridazin-5-yl] ester IUPAC Name: [3-(4-cyanophenyl)-6-oxo-1H-pyridazin-5-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(4-cyanophenyl)-6-keto-1H-pyridazin-5-yl] ester Formula: C12H7N3O4 MolecularWeight: 257.20168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NNC(=O)C(=C2)OC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NNC(=O)C(=C2)OC(=O)O

InChI

InChI=1S/C12H7N3O4/c13-6-7-1-3-8(4-2-7)9-5-10(19-12(17)18)11(16)15-14-9/h1-5H,(H,15,16)(H,17,18)