3-(4-hydroxyphenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid Formula: C16H13F3N2O5 MolecularWeight: 370.28003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

InChI

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