2-[[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[[(1-oxidanylidene-2H-isoquinolin-3-yl)amino]methylidene]propanedinitrile Openeye Name: 2-[[(1-oxo-2H-isoquinolin-3-yl)amino]methylene]propanedinitrile CAS Name: 2-[[(1-oxo-2H-isoquinolin-3-yl)amino]methylidene]propanedinitrile IUPAC Name: 2-[[(1-oxo-2H-isoquinolin-3-yl)amino]methylidene]propanedinitrile Traditional Name: 2-[[(1-keto-2H-isoquinolin-3-yl)amino]methylene]malononitrile Formula: C13H8N4O MolecularWeight: 236.22882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)NC=C(C#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)NC=C(C#N)C#N

InChI

InChI=1S/C13H8N4O/c14-6-9(7-15)8-16-12-5-10-3-1-2-4-11(10)13(18)17-12/h1-5,8H,(H2,16,17,18)