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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl pyridine-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl pyridine-4-carboxylate CAS Name: 4-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 pyridine-4-carboxylate Traditional Name: isonicotinic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO4/c17-13-8-11(9-14-15(13)21-7-1-6-20-14)10-22-16(19)12-2-4-18-5-3-12/h2-5,8-9H,1,6-7,10H2