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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H16N4O4/c1-13(23)17(11-22)18(26)12-29-21(28)19-15-9-5-6-10-16(15)20(27)25(24-19)14-7-3-2-4-8-14/h2-10,17,23H,12H2,1H3