dimethyl 1-[4-bromanyl-1,5-dimethoxy-1,5-bis(oxidanylidene)pentan-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[4-bromanyl-1,5-dimethoxy-1,5-bis(oxidanylidene)pentan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(3-bromo-4-methoxy-1-methoxycarbonyl-4-oxo-butyl)triazole-4,5-dicarboxylate CAS Name: 1-(4-bromo-1,5-dimethoxy-1,5-dioxopentan-2-yl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromo-1,5-dimethoxy-1,5-dioxopentan-2-yl)triazole-4,5-dicarboxylate Traditional Name: 1-(3-bromo-1-carbomethoxy-4-keto-4-methoxy-butyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H16BrN3O8 MolecularWeight: 422.18544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C(CC(C(=O)OC)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C(CC(C(=O)OC)Br)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H16BrN3O8/c1-22-10(18)6(14)5-7(11(19)23-2)17-9(13(21)25-4)8(15-16-17)12(20)24-3/h6-7H,5H2,1-4H3