[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H15NO5/c1-11-2-3-13(9-18-11)17(20)23-10-14(19)12-4-5-15-16(8-12)22-7-6-21-15/h2-5,8-9H,6-7,10H2,1H3