5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(6-oxidanylhexyl)benzamide

Systemtic Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(6-oxidanylhexyl)benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(6-hydroxyhexyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(6-hydroxyhexyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(6-hydroxyhexyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(6-hydroxyhexyl)-2,4-dinitro-benzamide Formula: C17H24Br2N4O6 MolecularWeight: 540.20366

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCCCO

Isomeric SMILES

C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCCCO

InChI

InChI=1S/C17H24Br2N4O6/c18-5-8-21(9-6-19)15-11-13(14(22(26)27)12-16(15)23(28)29)17(25)20-7-3-1-2-4-10-24/h11-12,24H,1-10H2,(H,20,25)