2-[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]amino]acetic acid CAS Name: 2-[[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]amino]acetic acid Traditional Name: 2-[[5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]amino]acetic acid Formula: C17H10F3N3O6 MolecularWeight: 409.27301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C#N)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C#N)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCC(=O)O

InChI

InChI=1S/C17H10F3N3O6/c18-17(19,20)10-1-4-14(9(5-10)7-21)29-11-2-3-13(23(27)28)12(6-11)16(26)22-8-15(24)25/h1-6H,8H2,(H,22,26)(H,24,25)