5-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-thiophene-3-carboxamide

Systemtic Name: 5-[[azanyl-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-thiophene-3-carboxamide Openeye Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-thiophene-3-carboxamide CAS Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-3-thiophenecarboxamide IUPAC Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitrothiophene-3-carboxamide Traditional Name: 5-[[amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-2-nitro-thiophene-3-carboxamide Formula: C10H15Br2N4O5PS MolecularWeight: 494.096661

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1C(=O)N)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr

Isomeric SMILES

C1=C(SC(=C1C(=O)N)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr

InChI

InChI=1S/C10H15Br2N4O5PS/c11-1-3-15(4-2-12)22(14,20)21-6-7-5-8(9(13)17)10(23-7)16(18)19/h5H,1-4,6H2,(H2,13,17)(H2,14,20)