2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide

Systemtic Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide Openeye Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide CAS Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide Formula: C13H16Br2N4O6 MolecularWeight: 484.09734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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