ethyl (1R,2S,6S)-4-azanyl-1,3,5,5-tetracyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,2S,6S)-4-azanyl-1,3,5,5-tetracyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,2S,6S)-4-amino-1,3,5,5-tetracyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2S,6S)-4-amino-1,3,5,5-tetracyano-2,6-diphenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,6S)-4-amino-1,3,5,5-tetracyano-2,6-diphenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2S,6S)-4-amino-1,3,5,5-tetracyano-2,6-diphenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H19N5O2 MolecularWeight: 421.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=C(C(C1C2=CC=CC=C2)(C#N)C#N)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@H](C(=C(C([C@@H]1C2=CC=CC=C2)(C#N)C#N)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H19N5O2/c1-2-32-23(31)25(16-29)20(17-9-5-3-6-10-17)19(13-26)22(30)24(14-27,15-28)21(25)18-11-7-4-8-12-18/h3-12,20-21H,2,30H2,1H3/t20-,21-,25+/m0/s1