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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(methylamino)-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 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-keto-2-(methylamino)ethyl] ester Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CNC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C13H14ClNO5/c1-15-11(16)7-20-13(17)8-5-9(14)12-10(6-8)18-3-2-4-19-12/h5-6H,2-4,7H2,1H3,(H,15,16)