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

Systemtic Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(5-oxidanylpentyl)benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(5-hydroxypentyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(5-hydroxypentyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(5-hydroxypentyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(5-hydroxypentyl)-2,4-dinitro-benzamide Formula: C16H22Br2N4O6 MolecularWeight: 526.17708

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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)NCCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C16H22Br2N4O6/c17-4-7-20(8-5-18)14-10-12(16(24)19-6-2-1-3-9-23)13(21(25)26)11-15(14)22(27)28/h10-11,23H,1-9H2,(H,19,24)