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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-morpholino-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-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-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-morpholino-ethyl) ester Formula: C16H18ClNO6 MolecularWeight: 355.77022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)N3CCOCC3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)N3CCOCC3)Cl)OC1

InChI

InChI=1S/C16H18ClNO6/c17-12-8-11(9-13-15(12)23-5-1-4-22-13)16(20)24-10-14(19)18-2-6-21-7-3-18/h8-9H,1-7,10H2