2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitroso-ethanenitrile

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitroso-ethanenitrile Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitroso-acetonitrile CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrosoacetonitrile IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrosoacetonitrile Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitroso-acetonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C(C#N)N=O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C(C#N)N=O)C

InChI

InChI=1S/C13H13N3O/c1-13(2)7-9-5-3-4-6-10(9)12(15-13)11(8-14)16-17/h3-6,11H,7H2,1-2H3