methyl (2R,3R)-6-bromanyl-3-[(E)-C-methoxycarbonyl-N-oxidanyl-carbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl (2R,3R)-6-bromanyl-3-[(E)-C-methoxycarbonyl-N-oxidanyl-carbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl (2R,3R)-6-bromo-3-[(E)-N-hydroxy-C-methoxycarbonyl-carbonimidoyl]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R,3R)-6-bromo-3-[(1E)-1-hydroxyimino-2-methoxy-2-oxoethyl]-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-6-bromo-3-[(E)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R,3R)-6-bromo-3-(2-keto-2-methoxy-acetohydroximoyl)coumaran-2-carboxylic acid methyl ester Formula: C13H12BrNO6 MolecularWeight: 358.14148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(O1)C=C(C=C2)Br)C(=NO)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1[C@H](C2=C(O1)C=C(C=C2)Br)/C(=N\O)/C(=O)OC

InChI

InChI=1S/C13H12BrNO6/c1-19-12(16)10(15-18)9-7-4-3-6(14)5-8(7)21-11(9)13(17)20-2/h3-5,9,11,18H,1-2H3/b15-10+/t9-,11-/m1/s1