4-nitro-2-[[2-[3-(trifluoromethyl)phenoxy]ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-[3-(trifluoromethyl)phenoxy]ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-[3-(trifluoromethyl)phenoxy]ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]phenolate Formula: C16H12F3N2O5- MolecularWeight: 369.27209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(F)(F)F

InChI

InChI=1S/C16H13F3N2O5/c17-16(18,19)11-2-1-3-13(7-11)26-9-15(23)20-8-10-6-12(21(24)25)4-5-14(10)22/h1-7,22H,8-9H2,(H,20,23)/p-1