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

Systemtic Name: 2-(4-cyanophenoxy)ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 2-(4-cyanophenoxy)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-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 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-(4-cyanophenoxy)ethyl ester Formula: C19H16ClNO5 MolecularWeight: 373.78704

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCCOC3=CC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C19H16ClNO5/c20-16-10-14(11-17-18(16)25-7-1-6-24-17)19(22)26-9-8-23-15-4-2-13(12-21)3-5-15/h2-5,10-11H,1,6-9H2