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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloranylpyridine-3-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloropyridine-3-carboxylate CAS Name: 2-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 2-chloropyridine-3-carboxylate Traditional Name: 2-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=C(N=CC=C3)Cl)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO4/c17-12-7-10(8-13-14(12)22-6-2-5-21-13)9-23-16(20)11-3-1-4-19-15(11)18/h1,3-4,7-8H,2,5-6,9H2