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

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoic acid Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propionic acid Formula: C10H9F3N2O4 MolecularWeight: 278.18467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C10H9F3N2O4/c11-10(12,13)6-1-2-7(8(5-6)15(18)19)14-4-3-9(16)17/h1-2,5,14H,3-4H2,(H,16,17)