5-fluoranyl-2-(2-nitrooxyethyl)-3-propanoyloxy-benzoate

Systemtic Name: 5-fluoranyl-2-(2-nitrooxyethyl)-3-propanoyloxy-benzoate Openeye Name: 5-fluoro-2-(2-nitrooxyethyl)-3-propanoyloxy-benzoate CAS Name: 5-fluoro-2-(2-nitrooxyethyl)-3-(1-oxopropoxy)benzoate IUPAC Name: 5-fluoro-2-(2-nitrooxyethyl)-3-propanoyloxybenzoate Traditional Name: 5-fluoro-2-(2-nitrooxyethyl)-3-propionyloxy-benzoate Formula: C12H11FNO7- MolecularWeight: 300.216643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=CC(=C1)F)C(=O)[O-])CCO[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C(=CC(=C1)F)C(=O)[O-])CCO[N+](=O)[O-]

InChI

InChI=1S/C12H12FNO7/c1-2-11(15)21-10-6-7(13)5-9(12(16)17)8(10)3-4-20-14(18)19/h5-6H,2-4H2,1H3,(H,16,17)/p-1