(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC2=CC3=C(C=C2Br)OCO3)Cl)C

InChI

InChI=1S/C16H13BrClNO4/c1-8-3-9(2)19-15(18)14(8)16(20)21-6-10-4-12-13(5-11(10)17)23-7-22-12/h3-5H,6-7H2,1-2H3