5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-N-(3-oxidanylpropyl)benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,4-dinitro-benzamide Formula: C14H18Br2N4O6 MolecularWeight: 498.12392

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C14H18Br2N4O6/c15-2-5-18(6-3-16)12-8-10(14(22)17-4-1-7-21)11(19(23)24)9-13(12)20(25)26/h8-9,21H,1-7H2,(H,17,22)