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

Systemtic Name: ethyl 3-(4-bromophenyl)-7-(cyanomethoxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-7-(cyanomethoxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(4-bromophenyl)-7-(cyanomethoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-7-(cyanomethoxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(4-bromophenyl)-7-(cyanomethoxy)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C20H14BrNO5 MolecularWeight: 428.23286

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO5/c1-2-25-20(24)19-17(12-3-5-13(21)6-4-12)18(23)15-8-7-14(26-10-9-22)11-16(15)27-19/h3-8,11H,2,10H2,1H3