4-(1,3-benzodioxol-5-yl)-5-methyl-benzene-1,3-dicarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-methyl-benzene-1,3-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-methyl-benzene-1,3-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-5-methylbenzene-1,3-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-methylbenzene-1,3-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-methyl-isophthalonitrile Formula: C16H10N2O2 MolecularWeight: 262.2628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)C#N)C#N

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC3=C(C=C2)OCO3)C#N)C#N

InChI

InChI=1S/C16H10N2O2/c1-10-4-11(7-17)5-13(8-18)16(10)12-2-3-14-15(6-12)20-9-19-14/h2-6H,9H2,1H3