(3-cyanophenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-cyanophenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-cyanophenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-cyanophenyl) ester Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H11N3O3/c1-20-16(21)14-8-3-2-7-13(14)15(19-20)17(22)23-12-6-4-5-11(9-12)10-18/h2-9H,1H3