ethyl 2-cyano-5-oxidanylidene-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylate

Systemtic Name: ethyl 2-cyano-5-oxidanylidene-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylate Openeye Name: ethyl 2-cyano-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylate CAS Name: 2-cyano-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylate Traditional Name: 2-cyano-5-keto-6-phenyl-1,3,3a,4-tetrahydropentalene-2-carboxylic acid ethyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC(=O)C(=C2C1)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1(CC2CC(=O)C(=C2C1)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H17NO3/c1-2-22-17(21)18(11-19)9-13-8-15(20)16(14(13)10-18)12-6-4-3-5-7-12/h3-7,13H,2,8-10H2,1H3