[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H17BrN2O6/c1-26-17-11-13(10-14(12-22)19(24)23-6-8-27-9-7-23)2-3-15(17)29-20(25)16-4-5-18(21)28-16/h2-5,10-11H,6-9H2,1H3/b14-10+