ethyl 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-oxo-chromene-2-carboxylate CAS Name: 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate Traditional Name: 7-(cyanomethoxy)-3-(3,4-dimethoxyphenyl)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C22H19NO7 MolecularWeight: 409.38876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H19NO7/c1-4-28-22(25)21-19(13-5-8-16(26-2)18(11-13)27-3)20(24)15-7-6-14(29-10-9-23)12-17(15)30-21/h5-8,11-12H,4,10H2,1-3H3