2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanenitrile

Systemtic Name: 2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanenitrile Openeye Name: 2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetonitrile CAS Name: 2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]acetonitrile IUPAC Name: 2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetonitrile Traditional Name: 2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxyacetonitrile Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC#N

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC#N

InChI

InChI=1S/C20H17NO3/c1-13-10-17(23-9-8-21)19-14(2)16(20(22)24-18(19)11-13)12-15-6-4-3-5-7-15/h3-7,10-11H,9,12H2,1-2H3