2-[2-(4-methylphenyl)-4-oxidanylidene-chromen-6-yl]ethanenitrile

Systemtic Name: 2-[2-(4-methylphenyl)-4-oxidanylidene-chromen-6-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-(p-tolyl)chromen-6-yl]acetonitrile CAS Name: 2-[2-(4-methylphenyl)-4-oxo-1-benzopyran-6-yl]acetonitrile IUPAC Name: 2-[2-(4-methylphenyl)-4-oxochromen-6-yl]acetonitrile Traditional Name: 2-[4-keto-2-(p-tolyl)chromen-6-yl]acetonitrile Formula: C18H13NO2 MolecularWeight: 275.30132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)CC#N

InChI

InChI=1S/C18H13NO2/c1-12-2-5-14(6-3-12)18-11-16(20)15-10-13(8-9-19)4-7-17(15)21-18/h2-7,10-11H,8H2,1H3