1-(2-ethyl-4-nitro-phenyl)-1-phosphonato-propan-1-ol

Systemtic Name: 1-(2-ethyl-4-nitro-phenyl)-1-phosphonato-propan-1-ol Openeye Name: 1-(2-ethyl-4-nitro-phenyl)-1-phosphonato-propan-1-ol CAS Name: 1-(2-ethyl-4-nitrophenyl)-1-phosphonato-1-propanol IUPAC Name: 1-(2-ethyl-4-nitrophenyl)-1-phosphonatopropan-1-ol Traditional Name: 1-(2-ethyl-4-nitro-phenyl)-1-phosphonato-propan-1-ol Formula: C11H14NO6P-2 MolecularWeight: 287.205721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)[N+](=O)[O-])C(CC)(O)P(=O)([O-])[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)[N+](=O)[O-])C(CC)(O)P(=O)([O-])[O-]

InChI

InChI=1S/C11H16NO6P/c1-3-8-7-9(12(14)15)5-6-10(8)11(13,4-2)19(16,17)18/h5-7,13H,3-4H2,1-2H3,(H2,16,17,18)/p-2