3-[bis(2-bromoethyl)amino]-2,6-dinitro-N-(4-oxidanylbutyl)benzamide

Systemtic Name: 3-[bis(2-bromoethyl)amino]-2,6-dinitro-N-(4-oxidanylbutyl)benzamide Openeye Name: 3-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,6-dinitro-benzamide CAS Name: 3-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,6-dinitrobenzamide IUPAC Name: 3-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,6-dinitrobenzamide Traditional Name: 3-[bis(2-bromoethyl)amino]-N-(4-hydroxybutyl)-2,6-dinitro-benzamide Formula: C15H20Br2N4O6 MolecularWeight: 512.1505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20Br2N4O6/c16-5-8-19(9-6-17)12-4-3-11(20(24)25)13(14(12)21(26)27)15(23)18-7-1-2-10-22/h3-4,22H,1-2,5-10H2,(H,18,23)