[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C18H14Cl2O5 MolecularWeight: 381.20676

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl)OC1

InChI

InChI=1S/C18H14Cl2O5/c19-13-4-2-11(8-14(13)20)15(21)10-25-18(22)12-3-5-16-17(9-12)24-7-1-6-23-16/h2-5,8-9H,1,6-7,10H2