(1-azanyl-1-oxidanylidene-propan-2-yl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-amino-1-methyl-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 (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 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-amino-2-keto-1-methyl-ethyl) ester Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

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