ethyl (1S,2R)-3,3,4,4-tetracyano-6-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2R)-3,3,4,4-tetracyano-6-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R)-3,3,4,4-tetracyano-6-oxo-2-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R)-3,3,4,4-tetracyano-6-oxo-2-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-3,3,4,4-tetracyano-6-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R)-3,3,4,4-tetracyano-6-keto-2-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C19H14N4O3 MolecularWeight: 346.33946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C19H14N4O3/c1-2-26-17(25)15-14(24)8-18(9-20,10-21)19(11-22,12-23)16(15)13-6-4-3-5-7-13/h3-7,15-16H,2,8H2,1H3/t15-,16+/m1/s1