(5-bromanyl-3-methoxycarbonyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methyl-borinic acid

Systemtic Name: (5-bromanyl-3-methoxycarbonyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methyl-borinic acid Openeye Name: (5-bromo-3-methoxycarbonyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methyl-borinic acid CAS Name: (5-bromo-3-methoxycarbonyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methylborinic acid IUPAC Name: (5-bromo-3-methoxycarbonyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methylborinic acid Traditional Name: (5-bromo-3-carbomethoxy-4-keto-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1-yl)-methyl-borinic acid Formula: C12H15BBrNO4 MolecularWeight: 327.9668

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1C=C(C2=C1CCCC(C2=O)Br)C(=O)OC)O

Isomeric SMILES

B(C)(N1C=C(C2=C1CCCC(C2=O)Br)C(=O)OC)O

InChI

InChI=1S/C12H15BBrNO4/c1-13(18)15-6-7(12(17)19-2)10-9(15)5-3-4-8(14)11(10)16/h6,8,18H,3-5H2,1-2H3