[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H20N2O6/c1-2-3-6-17-16(21)18-14(19)10-24-15(20)11-4-5-12-13(9-11)23-8-7-22-12/h4-5,9H,2-3,6-8,10H2,1H3,(H2,17,18,19,21)