methyl 5-[(2-bromanyl-4,5-dimethoxy-phenyl)carbonyl-but-3-enyl-amino]furan-2-carboxylate

Systemtic Name: methyl 5-[(2-bromanyl-4,5-dimethoxy-phenyl)carbonyl-but-3-enyl-amino]furan-2-carboxylate Openeye Name: methyl 5-[(2-bromo-4,5-dimethoxy-benzoyl)-but-3-enyl-amino]furan-2-carboxylate CAS Name: 5-[[(2-bromo-4,5-dimethoxyphenyl)-oxomethyl]-but-3-enylamino]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-bromo-4,5-dimethoxybenzoyl)-but-3-enylamino]furan-2-carboxylate Traditional Name: 5-[(2-bromo-4,5-dimethoxy-benzoyl)-but-3-enyl-amino]furan-2-carboxylic acid methyl ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N(CCC=C)C2=CC=C(O2)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N(CCC=C)C2=CC=C(O2)C(=O)OC)Br)OC

InChI

InChI=1S/C19H20BrNO6/c1-5-6-9-21(17-8-7-14(27-17)19(23)26-4)18(22)12-10-15(24-2)16(25-3)11-13(12)20/h5,7-8,10-11H,1,6,9H2,2-4H3