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

Systemtic Name: ethyl 7-(cyanomethoxy)-3-(4-methoxyphenyl)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 7-(cyanomethoxy)-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylate CAS Name: 7-(cyanomethoxy)-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(cyanomethoxy)-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate Traditional Name: 7-(cyanomethoxy)-4-keto-3-(4-methoxyphenyl)chromene-2-carboxylic acid ethyl ester Formula: C21H17NO6 MolecularWeight: 379.36278

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO6/c1-3-26-21(24)20-18(13-4-6-14(25-2)7-5-13)19(23)16-9-8-15(27-11-10-22)12-17(16)28-20/h4-9,12H,3,11H2,1-2H3