diethyl [2-nitro-5-[(1S)-1-oxidanylethyl]phenyl] phosphate

Systemtic Name: diethyl [2-nitro-5-[(1S)-1-oxidanylethyl]phenyl] phosphate Openeye Name: diethyl [5-[(1S)-1-hydroxyethyl]-2-nitro-phenyl] phosphate CAS Name: phosphoric acid diethyl [5-[(1S)-1-hydroxyethyl]-2-nitrophenyl] ester IUPAC Name: diethyl [5-[(1S)-1-hydroxyethyl]-2-nitrophenyl] phosphate Traditional Name: phosphoric acid diethyl [5-[(1S)-1-hydroxyethyl]-2-nitro-phenyl] ester Formula: C12H18NO7P MolecularWeight: 319.247581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=C(C=CC(=C1)C(C)O)[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(OCC)OC1=C(C=CC(=C1)[C@H](C)O)[N+](=O)[O-]

InChI

InChI=1S/C12H18NO7P/c1-4-18-21(17,19-5-2)20-12-8-10(9(3)14)6-7-11(12)13(15)16/h6-9,14H,4-5H2,1-3H3/t9-/m0/s1