[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O8 MolecularWeight: 464.85304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O8/c1-28-17-8-12(7-14(22)19(17)29-2)20(26)31-11-18(25)24-21(27)23-9-13-10-30-15-5-3-4-6-16(15)32-13/h3-8,13H,9-11H2,1-2H3,(H2,23,24,25,27)