3,6-bis(chloranyl)-2-[[2-[(4-cyanophenyl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 3,6-bis(chloranyl)-2-[[2-[(4-cyanophenyl)amino]-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid Openeye Name: 3,6-dichloro-2-[[2-(4-cyanoanilino)-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid CAS Name: 3,6-dichloro-2-[[2-(4-cyanoanilino)-5-(trifluoromethyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 3,6-dichloro-2-[[2-(4-cyanoanilino)-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid Traditional Name: 3,6-dichloro-2-[[2-(4-cyanoanilino)-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid Formula: C22H12Cl2F3N3O3 MolecularWeight: 494.25019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C22H12Cl2F3N3O3/c23-14-6-7-15(24)19(21(32)33)18(14)20(31)30-17-9-12(22(25,26)27)3-8-16(17)29-13-4-1-11(10-28)2-5-13/h1-9,29H,(H,30,31)(H,32,33)