methyl 5-[(6-bromanyl-1,3-benzodioxol-5-yl)carbonyl-but-3-enyl-amino]furan-2-carboxylate

Systemtic Name: methyl 5-[(6-bromanyl-1,3-benzodioxol-5-yl)carbonyl-but-3-enyl-amino]furan-2-carboxylate Openeye Name: methyl 5-[(6-bromo-1,3-benzodioxole-5-carbonyl)-but-3-enyl-amino]furan-2-carboxylate CAS Name: 5-[[(6-bromo-1,3-benzodioxol-5-yl)-oxomethyl]-but-3-enylamino]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-bromo-1,3-benzodioxole-5-carbonyl)-but-3-enylamino]furan-2-carboxylate Traditional Name: 5-[(6-bromopiperonyloyl)-but-3-enyl-amino]furan-2-carboxylic acid methyl ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)N(CCC=C)C(=O)C2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)N(CCC=C)C(=O)C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H16BrNO6/c1-3-4-7-20(16-6-5-13(26-16)18(22)23-2)17(21)11-8-14-15(9-12(11)19)25-10-24-14/h3,5-6,8-9H,1,4,7,10H2,2H3