ethyl (8R,8aS)-6-azanylidene-5,7,7-tricyano-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl (8R,8aS)-6-azanylidene-5,7,7-tricyano-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl (8R,8aS)-5,7,7-tricyano-6-imino-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (8R,8aS)-5,7,7-tricyano-6-imino-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (8R,8aS)-5,7,7-tricyano-6-imino-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (8R,8aS)-5,7,7-tricyano-6-imino-8-methyl-3,5,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=N)C2C#N)(C#N)C#N)C

Isomeric SMILES

CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C

InChI

InChI=1S/C16H17N5O2/c1-3-23-15(22)21-5-4-11-12(6-17)14(20)16(8-18,9-19)10(2)13(11)7-21/h4,10,12-13,20H,3,5,7H2,1-2H3/t10-,12?,13+/m1/s1