4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-3-(trifluoromethyloxy)benzoic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamoylamino]-3-(trifluoromethyloxy)benzoic acid Openeye Name: 4-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid CAS Name: 4-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-3-(trifluoromethoxy)benzoic acid IUPAC Name: 4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid Formula: C16H9ClF4N2O5 MolecularWeight: 420.699673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C16H9ClF4N2O5/c17-10-6-8(18)2-3-9(10)13(24)23-15(27)22-11-4-1-7(14(25)26)5-12(11)28-16(19,20)21/h1-6H,(H,25,26)(H2,22,23,24,27)