methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H18BrNO5/c1-9-16(19(23)24-2)17(18-12(21-9)4-3-5-13(18)22)10-6-14-15(7-11(10)20)26-8-25-14/h6-7,16-17,21H,1,3-5,8H2,2H3