3-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyloxy]benzoic acid

Systemtic Name: 3-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyloxy]benzoic acid Openeye Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyloxy]benzoic acid CAS Name: 3-[[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]-oxomethoxy]benzoic acid IUPAC Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyloxy]benzoic acid Traditional Name: 3-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyloxy]benzoic acid Formula: C16H9ClF3NO6 MolecularWeight: 403.69397

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H9ClF3NO6/c17-9-4-5-11-12(7-9)27-16(26-11,15(18,19)20)21-14(24)25-10-3-1-2-8(6-10)13(22)23/h1-7H,(H,21,24)(H,22,23)