(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C16H13Cl2NO4 MolecularWeight: 354.18472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CN=C(C=C3)Cl)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CN=C(C=C3)Cl)Cl)OC1

InChI

InChI=1S/C16H13Cl2NO4/c17-12-6-10(7-13-15(12)22-5-1-4-21-13)9-23-16(20)11-2-3-14(18)19-8-11/h2-3,6-8H,1,4-5,9H2