pyridin-3-yl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C17H17NO4/c1-10-14-12(19)7-17(2,3)8-13(14)22-15(10)16(20)21-11-5-4-6-18-9-11/h4-6,9H,7-8H2,1-3H3