[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic 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] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H24N2O9 MolecularWeight: 460.43396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2COC3=CC=CC=C3O2)OC)OC

InChI

InChI=1S/C22H24N2O9/c1-28-17-9-8-14(19(29-2)20(17)30-3)21(26)32-12-18(25)24-22(27)23-10-13-11-31-15-6-4-5-7-16(15)33-13/h4-9,13H,10-12H2,1-3H3,(H2,23,24,25,27)