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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-5-(cyanomethoxy)-4-methyl-2-oxidanylidene-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-5-(cyanomethoxy)-4-methyl-2-oxo-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-5-(cyanomethoxy)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-5-(cyanomethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-(4-chlorobenzyl)-5-(cyanomethoxy)-2-keto-4-methyl-chromen-7-yl]oxyacetonitrile Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4/c1-13-17(10-14-2-4-15(22)5-3-14)21(25)28-19-12-16(26-8-6-23)11-18(20(13)19)27-9-7-24/h2-5,11-12H,8-10H2,1H3