2-azanyl-4-(2-fluoranylhexanoyloxy)-5-nitro-benzoic acid

Systemtic Name: 2-azanyl-4-(2-fluoranylhexanoyloxy)-5-nitro-benzoic acid Openeye Name: 2-amino-4-(2-fluorohexanoyloxy)-5-nitro-benzoic acid CAS Name: 2-amino-4-(2-fluoro-1-oxohexoxy)-5-nitrobenzoic acid IUPAC Name: 2-amino-4-(2-fluorohexanoyloxy)-5-nitrobenzoic acid Traditional Name: 2-amino-4-(2-fluorohexanoyloxy)-5-nitro-benzoic acid Formula: C13H15FN2O6 MolecularWeight: 314.266403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C(C(=C1)N)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=C(C(=C1)N)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C13H15FN2O6/c1-2-3-4-8(14)13(19)22-11-6-9(15)7(12(17)18)5-10(11)16(20)21/h5-6,8H,2-4,15H2,1H3,(H,17,18)