2-[[5-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]propanoic acid

Systemtic Name: 2-[[5-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]propanoic acid Openeye Name: 2-[5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]propanoic acid CAS Name: 2-[5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]propanoic acid IUPAC Name: 2-[5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]propanoic acid Traditional Name: 2-[5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]propionic acid Formula: C16H11Cl2F3N2O5 MolecularWeight: 439.17015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11Cl2F3N2O5/c1-7(15(24)25)22-12-6-9(2-3-13(12)23(26)27)28-14-10(17)4-8(5-11(14)18)16(19,20)21/h2-7,22H,1H3,(H,24,25)