ethyl (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylate

Systemtic Name: ethyl (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylate Openeye Name: ethyl (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylate CAS Name: (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-oxo-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylate Traditional Name: (1S,4aS,8aR)-1,4a-dicyano-7-ethoxy-5-keto-3,4,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid ethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-3-22-12-8-13-16(10-18,14(20)9-12)6-5-7-17(13,11-19)15(21)23-4-2/h9,13H,3-8H2,1-2H3/t13-,16-,17-/m1/s1