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

Systemtic Name: (5-chloranylpyridin-3-yl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (5-chloro-3-pyridyl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxo-chromene-3-carboxylate CAS Name: 6-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-oxo-1-benzopyran-3-carboxylic acid (5-chloro-3-pyridinyl) ester IUPAC Name: (5-chloropyridin-3-yl) 6-(2,2-dimethylpropanoyloxymethyl)-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-(pivaloyloxymethyl)chromene-3-carboxylic acid (5-chloro-3-pyridyl) ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO6/c1-21(2,3)20(26)27-11-12-4-5-17-13(6-12)7-16(19(25)29-17)18(24)28-15-8-14(22)9-23-10-15/h4-10H,11H2,1-3H3