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

Systemtic Name: pyridin-2-ylmethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 2-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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-pyridylmethyl ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC3=CC=CC=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC3=CC=CC=N3)Cl)OC1

InChI

InChI=1S/C16H14ClNO4/c17-13-8-11(9-14-15(13)21-7-3-6-20-14)16(19)22-10-12-4-1-2-5-18-12/h1-2,4-5,8-9H,3,6-7,10H2