1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitro-ethanol

Systemtic Name: 1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitro-ethanol Openeye Name: 1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitro-ethanol CAS Name: 1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitroethanol IUPAC Name: 1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitroethanol Traditional Name: 1-(4-bromophenyl)-1-diethoxyphosphoryl-2-nitro-ethanol Formula: C12H17BrNO6P MolecularWeight: 382.144241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C[N+](=O)[O-])(C1=CC=C(C=C1)Br)O)OCC

Isomeric SMILES

CCOP(=O)(C(C[N+](=O)[O-])(C1=CC=C(C=C1)Br)O)OCC

InChI

InChI=1S/C12H17BrNO6P/c1-3-19-21(18,20-4-2)12(15,9-14(16)17)10-5-7-11(13)8-6-10/h5-8,15H,3-4,9H2,1-2H3