(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H14N4O5 MolecularWeight: 342.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C16H14N4O5/c1-9(18)12(6-17)13(21)8-25-14(22)7-20-16(24)11-5-3-2-4-10(11)15(23)19-20/h2-5,12,18H,7-8H2,1H3,(H,19,23)