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

Systemtic Name: 3-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]benzoic acid Openeye Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid CAS Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid IUPAC Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid Traditional Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid Formula: C15H11F3N2O4 MolecularWeight: 340.25405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N2O4/c1-8-6-9(14(21)22)2-4-11(8)19-12-5-3-10(15(16,17)18)7-13(12)20(23)24/h2-7,19H,1H3,(H,21,22)