4-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid CAS Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid IUPAC Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid Traditional Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid Formula: C15H11F3N2O4 MolecularWeight: 340.25405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11F3N2O4/c16-15(17,18)11-5-6-12(13(7-11)20(23)24)19-8-9-1-3-10(4-2-9)14(21)22/h1-7,19H,8H2,(H,21,22)