2-(6,8-dimethyl-1-oxidanylidene-isochromen-3-yl)ethanenitrile

Systemtic Name: 2-(6,8-dimethyl-1-oxidanylidene-isochromen-3-yl)ethanenitrile Openeye Name: 2-(6,8-dimethyl-1-oxo-isochromen-3-yl)acetonitrile CAS Name: 2-(6,8-dimethyl-1-oxo-2-benzopyran-3-yl)acetonitrile IUPAC Name: 2-(6,8-dimethyl-1-oxoisochromen-3-yl)acetonitrile Traditional Name: 2-(1-keto-6,8-dimethyl-isochromen-3-yl)acetonitrile Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(OC2=O)CC#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(OC2=O)CC#N)C

InChI

InChI=1S/C13H11NO2/c1-8-5-9(2)12-10(6-8)7-11(3-4-14)16-13(12)15/h5-7H,3H2,1-2H3