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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-2-methyl-propanenitrile Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methyl-propanenitrile CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methylpropanenitrile IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-2-methylpropanenitrile Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-2-methyl-propionitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)CC2=CC=CC=C2C1=O)C#N

Isomeric SMILES

CC(CN1C(=O)CC2=CC=CC=C2C1=O)C#N

InChI

InChI=1S/C13H12N2O2/c1-9(7-14)8-15-12(16)6-10-4-2-3-5-11(10)13(15)17/h2-5,9H,6,8H2,1H3