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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)N)Cl)OC1

InChI

InChI=1S/C12H12ClNO5/c13-8-4-7(12(16)19-6-10(14)15)5-9-11(8)18-3-1-2-17-9/h4-5H,1-3,6H2,(H2,14,15)