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

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (3-cyanobenzyl) ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13N3O3/c1-21-17(22)15-8-3-2-7-14(15)16(20-21)18(23)24-11-13-6-4-5-12(9-13)10-19/h2-9H,11H2,1H3