1-cyanoethyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: 1-cyanoethyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: 1-cyanoethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid 1-cyanoethyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C#N)OC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H11N3O3/c1-8(7-14)19-12(17)6-11-9-4-2-3-5-10(9)13(18)16-15-11/h2-5,8H,6H2,1H3,(H,16,18)