dimethyl 4-cyano-4-oxidanyl-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: dimethyl 4-cyano-4-oxidanyl-1,2-diazinane-1,2-dicarboxylate Openeye Name: dimethyl 4-cyano-4-hydroxy-hexahydropyridazine-1,2-dicarboxylate CAS Name: 4-cyano-4-hydroxydiazinane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-hydroxydiazinane-1,2-dicarboxylate Traditional Name: 4-cyano-4-hydroxy-hexahydropyridazine-1,2-dicarboxylic acid dimethyl ester Formula: C9H13N3O5 MolecularWeight: 243.21662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CN1C(=O)OC)(C#N)O

Isomeric SMILES

COC(=O)N1CCC(CN1C(=O)OC)(C#N)O

InChI

InChI=1S/C9H13N3O5/c1-16-7(13)11-4-3-9(15,5-10)6-12(11)8(14)17-2/h15H,3-4,6H2,1-2H3