(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,3-dimethylbutanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,3-dimethylbutanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CC(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CC(C)(C)C

InChI

InChI=1S/C12H18N2O3/c1-8(14)9(6-13)10(15)7-17-11(16)5-12(2,3)4/h9,14H,5,7H2,1-4H3