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

Systemtic Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(4-oxidanylbutyl)benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,4-dinitro-benzamide Formula: C15H20Br2N4O6 MolecularWeight: 512.1505

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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)NCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C15H20Br2N4O6/c16-3-6-19(7-4-17)13-9-11(15(23)18-5-1-2-8-22)12(20(24)25)10-14(13)21(26)27/h9-10,22H,1-8H2,(H,18,23)