3-(1-oxidanylidene-3,4-dihydroisochromen-8-yl)benzenecarbonitrile

Systemtic Name: 3-(1-oxidanylidene-3,4-dihydroisochromen-8-yl)benzenecarbonitrile Openeye Name: 3-(1-oxoisochroman-8-yl)benzonitrile CAS Name: 3-(1-oxo-3,4-dihydro-1H-2-benzopyran-8-yl)benzonitrile IUPAC Name: 3-(1-oxo-3,4-dihydroisochromen-8-yl)benzonitrile Traditional Name: 3-(1-ketoisochroman-8-yl)benzonitrile Formula: C16H11NO2 MolecularWeight: 249.26404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C2=C(C=CC=C21)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC(=O)C2=C(C=CC=C21)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11NO2/c17-10-11-3-1-5-13(9-11)14-6-2-4-12-7-8-19-16(18)15(12)14/h1-6,9H,7-8H2