bis[(E)-5-nitroso-6-(oxidanylamino)hept-5-enyl] 2-(bromomethyl)-2-methyl-propanedioate

Systemtic Name: bis[(E)-5-nitroso-6-(oxidanylamino)hept-5-enyl] 2-(bromomethyl)-2-methyl-propanedioate Openeye Name: bis[(E)-6-(hydroxyamino)-5-nitroso-hept-5-enyl] 2-(bromomethyl)-2-methyl-propanedioate CAS Name: 2-(bromomethyl)-2-methylpropanedioic acid bis[(E)-6-(hydroxyamino)-5-nitrosohept-5-enyl] ester IUPAC Name: bis[(E)-6-(hydroxyamino)-5-nitrosohept-5-enyl] 2-(bromomethyl)-2-methylpropanedioate Traditional Name: 2-(bromomethyl)-2-methyl-malonic acid bis[(E)-6-(hydroxyamino)-5-nitroso-hept-5-enyl] ester Formula: C19H31BrN4O8 MolecularWeight: 523.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCCCOC(=O)C(C)(CBr)C(=O)OCCCCC(=C(C)NO)N=O)N=O)NO

Isomeric SMILES

C/C(=C(\N=O)/CCCCOC(=O)C(C(=O)OCCCC/C(=C(\NO)/C)/N=O)(CBr)C)/NO

InChI

InChI=1S/C19H31BrN4O8/c1-13(21-27)15(23-29)8-4-6-10-31-17(25)19(3,12-20)18(26)32-11-7-5-9-16(24-30)14(2)22-28/h21-22,27-28H,4-12H2,1-3H3/b15-13+,16-14+