(2-cyanophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (2-cyanophenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (2-cyanophenyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (2-cyanophenyl) ester Formula: C22H13N3O3 MolecularWeight: 367.35692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=CC=C4C#N

InChI

InChI=1S/C22H13N3O3/c23-14-15-8-4-7-13-19(15)28-22(27)20-17-11-5-6-12-18(17)21(26)25(24-20)16-9-2-1-3-10-16/h1-13H