methyl 1,1,2,2,6-pentacyanospiro[2.3]hexane-6-carboxylate

Systemtic Name: methyl 1,1,2,2,6-pentacyanospiro[2.3]hexane-6-carboxylate Openeye Name: methyl 1,1,2,2,6-pentacyanospiro[2.3]hexane-6-carboxylate CAS Name: 1,1,2,2,6-pentacyano-6-spiro[2.3]hexanecarboxylic acid methyl ester IUPAC Name: methyl 1,1,2,2,6-pentacyanospiro[2.3]hexane-6-carboxylate Traditional Name: 1,1,2,2,6-pentacyanospiro[2.3]hexane-6-carboxylic acid methyl ester Formula: C13H7N5O2 MolecularWeight: 265.22698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC12C(C2(C#N)C#N)(C#N)C#N)C#N

Isomeric SMILES

COC(=O)C1(CCC12C(C2(C#N)C#N)(C#N)C#N)C#N

InChI

InChI=1S/C13H7N5O2/c1-20-9(19)10(4-14)2-3-13(10)11(5-15,6-16)12(13,7-17)8-18/h2-3H2,1H3