(4-nitrophenyl)methyl 2,3-bis(bromanyl)-3-dimethoxyphosphoryloxy-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2,3-bis(bromanyl)-3-dimethoxyphosphoryloxy-butanoate Openeye Name: (4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxy-butanoate CAS Name: 2,3-dibromo-3-dimethoxyphosphoryloxybutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2,3-dibromo-3-dimethoxyphosphoryloxybutanoate Traditional Name: 2,3-dibromo-3-dimethoxyphosphoryloxy-butyric acid (4-nitrobenzyl) ester Formula: C13H16Br2NO8P MolecularWeight: 505.049801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br)(OP(=O)(OC)OC)Br

Isomeric SMILES

CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br)(OP(=O)(OC)OC)Br

InChI

InChI=1S/C13H16Br2NO8P/c1-13(15,24-25(20,21-2)22-3)11(14)12(17)23-8-9-4-6-10(7-5-9)16(18)19/h4-7,11H,8H2,1-3H3