diethyl 5-oxidanylidene-6-pyridin-2-yl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: diethyl 5-oxidanylidene-6-pyridin-2-yl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: diethyl 5-oxo-6-(2-pyridyl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: 5-oxo-6-(2-pyridinyl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-oxo-6-pyridin-2-yl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: 5-keto-6-(2-pyridyl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC(=O)C(=C2C1)C3=CC=CC=N3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2CC(=O)C(=C2C1)C3=CC=CC=N3)C(=O)OCC

InChI

InChI=1S/C19H21NO5/c1-3-24-17(22)19(18(23)25-4-2)10-12-9-15(21)16(13(12)11-19)14-7-5-6-8-20-14/h5-8,12H,3-4,9-11H2,1-2H3