2-[[(2Z)-4-methyl-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]ethanenitrile

Systemtic Name: 2-[[(2Z)-4-methyl-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]ethanenitrile Openeye Name: 2-[(2Z)-4-methyl-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl]oxyacetonitrile CAS Name: 2-[[(2Z)-4-methyl-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-6-benzofuranyl]oxy]acetonitrile IUPAC Name: 2-[[(2Z)-4-methyl-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetonitrile Traditional Name: 2-[(2Z)-3-keto-4-methyl-2-(2,3,4-trimethoxybenzylidene)coumaran-6-yl]oxyacetonitrile Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)O2)OCC#N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/O2)OCC#N

InChI

InChI=1S/C21H19NO6/c1-12-9-14(27-8-7-22)11-16-18(12)19(23)17(28-16)10-13-5-6-15(24-2)21(26-4)20(13)25-3/h5-6,9-11H,8H2,1-4H3/b17-10-