[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H16ClFN2O6 MolecularWeight: 422.791543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN2O6/c20-14-7-11(21)5-6-13(14)18(25)28-10-17(24)23-19(26)22-8-12-9-27-15-3-1-2-4-16(15)29-12/h1-7,12H,8-10H2,(H2,22,23,24,26)