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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-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-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H17Cl2NO4 MolecularWeight: 382.23788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl)C

InChI

InChI=1S/C18H17Cl2NO4/c1-10-6-11(2)21-17(20)15(10)18(22)25-9-12-7-13(19)16-14(8-12)23-4-3-5-24-16/h6-8H,3-5,9H2,1-2H3