[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-oxidanylidene-pyridin-4-yl] hexanoate

Systemtic Name: [1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-oxidanylidene-pyridin-4-yl] hexanoate Openeye Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-oxo-4-pyridyl] hexanoate CAS Name: hexanoic acid [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-oxo-4-pyridinyl] ester IUPAC Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridin-4-yl] hexanoate Traditional Name: hexanoic acid [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-keto-4-pyridyl] ester Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=O)N(C=C1)CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CCCCCC(=O)OC1=CC(=O)N(C=C1)CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C19H20ClNO5/c1-2-3-4-5-19(23)26-14-6-7-21(18(22)9-14)11-13-8-16-17(10-15(13)20)25-12-24-16/h6-10H,2-5,11-12H2,1H3