cyanomethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: cyanomethyl 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: cyanomethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid cyanomethyl ester Formula: C12H10N4O3 MolecularWeight: 258.2328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)OCC#N

InChI

InChI=1S/C12H10N4O3/c13-6-8-19-11(17)5-7-16-12(18)9-3-1-2-4-10(9)14-15-16/h1-4H,5,7-8H2