(2-cyanophenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (2-cyanophenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (2-cyanophenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (2-cyanobenzyl) ester Formula: C19H14N2O4 MolecularWeight: 334.32546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H14N2O4/c20-10-14-6-1-2-7-15(14)12-25-18(23)11-21-17(22)9-13-5-3-4-8-16(13)19(21)24/h1-8H,9,11-12H2