(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H14N4O4 MolecularWeight: 326.30676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C16H14N4O4/c1-9(18)12(7-17)13(21)8-24-16(23)14-10-5-3-4-6-11(10)15(22)20(2)19-14/h3-6,12,18H,8H2,1-2H3