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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2/c14-7-3-4-8-15-12(16)9-10-5-1-2-6-11(10)13(15)17/h1-2,5-6H,3-4,8-9H2