3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 3-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-oxomethyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylcarbamoylamino)-5-(trifluoromethyl)benzoic acid Formula: C18H13F3N2O6 MolecularWeight: 410.30083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13F3N2O6/c19-18(20,21)11-5-10(16(25)26)6-12(8-11)22-17(27)23-15(24)9-1-2-13-14(7-9)29-4-3-28-13/h1-2,5-8H,3-4H2,(H,25,26)(H2,22,23,24,27)