2-[[2-[(6-carboxylatocyclohex-3-en-1-yl)carbonylamino]-4-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: 2-[[2-[(6-carboxylatocyclohex-3-en-1-yl)carbonylamino]-4-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: 2-[2-[(6-carboxylatocyclohex-3-ene-1-carbonyl)amino]-4-(trifluoromethyl)anilino]benzoate CAS Name: 2-[2-[[(6-carboxylato-1-cyclohex-3-enyl)-oxomethyl]amino]-4-(trifluoromethyl)anilino]benzoate IUPAC Name: 2-[2-[(6-carboxylatocyclohex-3-ene-1-carbonyl)amino]-4-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[2-[(6-carboxylatocyclohex-3-ene-1-carbonyl)amino]-4-(trifluoromethyl)anilino]benzoate Formula: C22H17F3N2O5-2 MolecularWeight: 446.37599

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H19F3N2O5/c23-22(24,25)12-9-10-17(26-16-8-4-3-7-15(16)21(31)32)18(11-12)27-19(28)13-5-1-2-6-14(13)20(29)30/h1-4,7-11,13-14,26H,5-6H2,(H,27,28)(H,29,30)(H,31,32)/p-2