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

Systemtic Name: (2-cyanophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (2-cyanophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-cyanobenzyl) ester Formula: C17H11N3O3 MolecularWeight: 305.28754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C#N

InChI

InChI=1S/C17H11N3O3/c18-9-11-5-1-2-6-12(11)10-23-17(22)15-13-7-3-4-8-14(13)16(21)20-19-15/h1-8H,10H2,(H,20,21)