ethyl (1S,2aS,8bS)-3-oxidanylidene-1-pyridin-2-yl-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate

Systemtic Name: ethyl (1S,2aS,8bS)-3-oxidanylidene-1-pyridin-2-yl-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate Openeye Name: ethyl (1S,2aS,8bS)-3-oxo-1-(2-pyridyl)-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate CAS Name: (1S,2aS,8bS)-3-oxo-1-(2-pyridinyl)-2,8b-dihydro-1H-cyclobuta[c][1]benzopyran-2a-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,2aS,8bS)-3-oxo-1-pyridin-2-yl-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylate Traditional Name: (1S,2aS,8bS)-3-keto-1-(2-pyridyl)-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylic acid ethyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(C1C3=CC=CC=C3OC2=O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)[C@]12C[C@@H]([C@H]1C3=CC=CC=C3OC2=O)C4=CC=CC=N4

InChI

InChI=1S/C19H17NO4/c1-2-23-17(21)19-11-13(14-8-5-6-10-20-14)16(19)12-7-3-4-9-15(12)24-18(19)22/h3-10,13,16H,2,11H2,1H3/t13-,16-,19+/m1/s1