3-[bis(2-bromoethyl)amino]-2,6-dinitro-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 3-[bis(2-bromoethyl)amino]-2,6-dinitro-N-(3-oxidanylpropyl)benzamide Openeye Name: 3-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,6-dinitro-benzamide CAS Name: 3-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,6-dinitrobenzamide IUPAC Name: 3-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,6-dinitrobenzamide Traditional Name: 3-[bis(2-bromoethyl)amino]-N-(3-hydroxypropyl)-2,6-dinitro-benzamide Formula: C14H18Br2N4O6 MolecularWeight: 498.12392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Br2N4O6/c15-4-7-18(8-5-16)11-3-2-10(19(23)24)12(13(11)20(25)26)14(22)17-6-1-9-21/h2-3,21H,1,4-9H2,(H,17,22)