5-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-N,N-dimethyl-2-nitro-thiophen-3-amine

Systemtic Name: 5-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-N,N-dimethyl-2-nitro-thiophen-3-amine Openeye Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-N,N-dimethyl-2-nitro-thiophen-3-amine CAS Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-N,N-dimethyl-2-nitro-3-thiophenamine IUPAC Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-N,N-dimethyl-2-nitrothiophen-3-amine Traditional Name: [5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-3-thienyl]-dimethyl-amine Formula: C11H19Br2N4O4PS MolecularWeight: 494.139721

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(SC(=C1)COP(=O)(N)N(CCBr)CCBr)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(SC(=C1)COP(=O)(N)N(CCBr)CCBr)[N+](=O)[O-]

InChI

InChI=1S/C11H19Br2N4O4PS/c1-15(2)10-7-9(23-11(10)17(18)19)8-21-22(14,20)16(5-3-12)6-4-13/h7H,3-6,8H2,1-2H3,(H2,14,20)