nitro 3-[2-azanyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]benzoate

Systemtic Name: nitro 3-[2-azanyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]benzoate Openeye Name: nitro 3-(2-amino-3,5,6-trifluoro-4-methyl-phenoxy)benzoate CAS Name: 3-(2-amino-3,5,6-trifluoro-4-methylphenoxy)benzoic acid nitro ester IUPAC Name: nitro 3-(2-amino-3,5,6-trifluoro-4-methylphenoxy)benzoate Traditional Name: 3-(2-amino-3,5,6-trifluoro-4-methyl-phenoxy)benzoic acid nitro ester Formula: C14H9F3N2O5 MolecularWeight: 342.22687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)F)OC2=CC=CC(=C2)C(=O)O[N+](=O)[O-])N)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)F)OC2=CC=CC(=C2)C(=O)O[N+](=O)[O-])N)F

InChI

InChI=1S/C14H9F3N2O5/c1-6-9(15)11(17)13(12(18)10(6)16)23-8-4-2-3-7(5-8)14(20)24-19(21)22/h2-5H,18H2,1H3