ditert-butyl (3S,5S)-5-chloranyl-3-cyano-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: ditert-butyl (3S,5S)-5-chloranyl-3-cyano-1,2-diazinane-1,2-dicarboxylate Openeye Name: ditert-butyl (3S,5S)-5-chloro-3-cyano-hexahydropyridazine-1,2-dicarboxylate CAS Name: (3S,5S)-5-chloro-3-cyanodiazinane-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (3S,5S)-5-chloro-3-cyanodiazinane-1,2-dicarboxylate Traditional Name: (3S,5S)-5-chloro-3-cyano-hexahydropyridazine-1,2-dicarboxylic acid ditert-butyl ester Formula: C15H24ClN3O4 MolecularWeight: 345.82176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC(N1C(=O)OC(C)(C)C)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H](N1C(=O)OC(C)(C)C)C#N)Cl

InChI

InChI=1S/C15H24ClN3O4/c1-14(2,3)22-12(20)18-9-10(16)7-11(8-17)19(18)13(21)23-15(4,5)6/h10-11H,7,9H2,1-6H3/t10-,11-/m0/s1