2-[5-(cyanomethoxy)-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[5-(cyanomethoxy)-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-benzyl-5-(cyanomethoxy)-4-methyl-2-oxo-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[5-(cyanomethoxy)-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-benzyl-5-(cyanomethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-benzyl-5-(cyanomethoxy)-2-keto-4-methyl-chromen-7-yl]oxyacetonitrile Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC#N)OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H16N2O4/c1-14-17(11-15-5-3-2-4-6-15)21(24)27-19-13-16(25-9-7-22)12-18(20(14)19)26-10-8-23/h2-6,12-13H,9-11H2,1H3