3-[methyl-(8-nitroisoquinolin-5-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(8-nitroisoquinolin-5-yl)amino]propanenitrile Openeye Name: 3-[methyl-(8-nitro-5-isoquinolyl)amino]propanenitrile CAS Name: 3-[methyl-(8-nitro-5-isoquinolinyl)amino]propanenitrile IUPAC Name: 3-[methyl-(8-nitroisoquinolin-5-yl)amino]propanenitrile Traditional Name: 3-[methyl-(8-nitro-5-isoquinolyl)amino]propionitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2/c1-16(8-2-6-14)12-3-4-13(17(18)19)11-9-15-7-5-10(11)12/h3-5,7,9H,2,8H2,1H3