[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19ClN2O6 MolecularWeight: 370.78486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H19ClN2O6/c1-9(2)18-16(22)19-13(20)8-25-15(21)10-6-11(17)14-12(7-10)23-4-3-5-24-14/h6-7,9H,3-5,8H2,1-2H3,(H2,18,19,20,22)