ethyl (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-oxidanylidene-2,3,7,7a-tetrahydroindene-1-carboxylate

Systemtic Name: ethyl (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-oxidanylidene-2,3,7,7a-tetrahydroindene-1-carboxylate Openeye Name: ethyl (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-oxo-2,3,7,7a-tetrahydroindene-1-carboxylate CAS Name: (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-oxo-2,3,7,7a-tetrahydroindene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-oxo-2,3,7,7a-tetrahydroindene-1-carboxylate Traditional Name: (1R,3aS,7aR)-1,3a-dicyano-6-ethoxy-4-keto-2,3,7,7a-tetrahydroindene-1-carboxylic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C2(CCC(C2C1)(C#N)C(=O)OCC)C#N

Isomeric SMILES

CCOC1=CC(=O)[C@]2(CC[C@@]([C@@H]2C1)(C#N)C(=O)OCC)C#N

InChI

InChI=1S/C16H18N2O4/c1-3-21-11-7-12-15(9-17,13(19)8-11)5-6-16(12,10-18)14(20)22-4-2/h8,12H,3-7H2,1-2H3/t12-,15-,16+/m1/s1