ethyl 3,3-dicyano-2-oxidanylidene-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylate

Systemtic Name: ethyl 3,3-dicyano-2-oxidanylidene-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylate Openeye Name: ethyl 3,3-dicyano-2-oxo-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylate CAS Name: 3,3-dicyano-2-oxo-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3,3-dicyano-2-oxo-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylate Traditional Name: 3,3-dicyano-2-keto-4-phenyl-4,4a,5,6,7,8-hexahydronaphthalene-1-carboxylic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCCC2C(C(C1=O)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2CCCCC2C(C(C1=O)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-2-26-20(25)17-15-10-6-7-11-16(15)18(14-8-4-3-5-9-14)21(12-22,13-23)19(17)24/h3-5,8-9,16,18H,2,6-7,10-11H2,1H3