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

Systemtic Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-N-methyl-3,5-dinitro-benzamide Openeye Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-N-methyl-3,5-dinitro-benzamide CAS Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-N-methyl-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-N-methyl-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-N-methyl-3,5-dinitro-benzamide Formula: C14H18Br2N4O6 MolecularWeight: 498.12392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Br2N4O6/c1-17(6-7-21)14(22)11-8-10(19(23)24)9-12(20(25)26)13(11)18(4-2-15)5-3-16/h8-9,21H,2-7H2,1H3