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

Systemtic Name: methyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid methyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H13NO4/c1-18-12(16)6-7-14-11(15)8-9-4-2-3-5-10(9)13(14)17/h2-5H,6-8H2,1H3