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

Systemtic Name: cyanomethyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: cyanomethyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid cyanomethyl ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/c15-6-8-20-13(18)5-7-16-12(17)9-10-3-1-2-4-11(10)14(16)19/h1-4H,5,7-9H2