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

Systemtic Name: (4-cyanophenyl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (4-cyanobenzyl) ester Formula: C18H12N2O3 MolecularWeight: 304.29948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12N2O3/c19-10-12-5-7-13(8-6-12)11-23-18(22)16-9-14-3-1-2-4-15(14)17(21)20-16/h1-9H,11H2,(H,20,21)