2-[2-(4H-chromen-4-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 2-[2-(4H-chromen-4-yl)ethanoyl]benzenecarbonitrile Openeye Name: 2-[2-(4H-chromen-4-yl)acetyl]benzonitrile CAS Name: 2-[2-(4H-1-benzopyran-4-yl)-1-oxoethyl]benzonitrile IUPAC Name: 2-[2-(4H-chromen-4-yl)acetyl]benzonitrile Traditional Name: 2-[2-(4H-chromen-4-yl)acetyl]benzonitrile Formula: C18H13NO2 MolecularWeight: 275.30132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)CC2C=COC3=CC=CC=C23

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)CC2C=COC3=CC=CC=C23

InChI

InChI=1S/C18H13NO2/c19-12-14-5-1-2-6-15(14)17(20)11-13-9-10-21-18-8-4-3-7-16(13)18/h1-10,13H,11H2