[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C17H14ClNO5 MolecularWeight: 347.74976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl)C

InChI

InChI=1S/C17H14ClNO5/c1-9-5-10(2)19-16(18)15(9)17(21)22-7-12(20)11-3-4-13-14(6-11)24-8-23-13/h3-6H,7-8H2,1-2H3