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

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

Systemtic Name:5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-2,4-dinitro-benzamide
Openeye Name:5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-2,4-dinitro-benzamide
CAS Name:5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-2,4-dinitrobenzamide
IUPAC Name:5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-2,4-dinitrobenzamide
Traditional Name:5-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-2,4-dinitro-benzamide
Formula: C13H16Br2N4O6
MolecularWeight: 484.09734
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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)NCCO


Isomeric SMILES

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


InChI

InChI=1S/C13H16Br2N4O6/c14-1-4-17(5-2-15)11-7-9(13(21)16-3-6-20)10(18(22)23)8-12(11)19(24)25/h7-8,20H,1-6H2,(H,16,21)


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