(5-chloranylpyridin-3-yl) 6-(2-methylpropanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (5-chloranylpyridin-3-yl) 6-(2-methylpropanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (5-chloro-3-pyridyl) 6-(2-methylpropanoyloxymethyl)-2-oxo-chromene-3-carboxylate CAS Name: 6-[(2-methyl-1-oxopropoxy)methyl]-2-oxo-1-benzopyran-3-carboxylic acid (5-chloro-3-pyridinyl) ester IUPAC Name: (5-chloropyridin-3-yl) 6-(2-methylpropanoyloxymethyl)-2-oxochromene-3-carboxylate Traditional Name: 6-(isobutyryloxymethyl)-2-keto-chromene-3-carboxylic acid (5-chloro-3-pyridyl) ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CN=C3)Cl

Isomeric SMILES

CC(C)C(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CN=C3)Cl

InChI

InChI=1S/C20H16ClNO6/c1-11(2)18(23)26-10-12-3-4-17-13(5-12)6-16(20(25)28-17)19(24)27-15-7-14(21)8-22-9-15/h3-9,11H,10H2,1-2H3