(2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitro-butanoic acid

Systemtic Name: (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitro-butanoic acid Openeye Name: (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitro-butanoic acid CAS Name: (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitrobutanoic acid IUPAC Name: (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitrobutanoic acid Traditional Name: (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-4-nitro-butyric acid Formula: C15H20NO9P MolecularWeight: 389.294361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)([C@H]([C@@H](C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)O)OCC

InChI

InChI=1S/C15H20NO9P/c1-3-24-26(21,25-4-2)14(15(17)18)11(8-16(19)20)10-5-6-12-13(7-10)23-9-22-12/h5-7,11,14H,3-4,8-9H2,1-2H3,(H,17,18)/t11-,14+/m0/s1