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

Systemtic Name: cyanomethyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: cyanomethyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid cyanomethyl ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC#N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC#N

InChI

InChI=1S/C13H10N2O4/c14-5-6-19-12(17)8-15-11(16)7-9-3-1-2-4-10(9)13(15)18/h1-4H,6-8H2