5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid

Systemtic Name: 5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid Openeye Name: 5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid CAS Name: 5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid IUPAC Name: 5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid Traditional Name: 5-nitro-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]benzoic acid Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O4/c1-9(10-3-2-4-11(7-10)16(17,18)19)20-14-6-5-12(21(24)25)8-13(14)15(22)23/h2-9,20H,1H3,(H,22,23)