cyanomethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: cyanomethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO4/c13-9-6-8(12(15)18-5-2-14)7-10-11(9)17-4-1-3-16-10/h6-7H,1,3-5H2