6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H13F2NO5 MolecularWeight: 325.264226

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

InChI

InChI=1S/C15H13F2NO5/c16-15(17)22-11-6-5-8(7-12(11)23-15)18-13(19)9-3-1-2-4-10(9)14(20)21/h1-2,5-7,9-10H,3-4H2,(H,18,19)(H,20,21)