tert-butyl 5-cyano-2-methyl-6-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 5-cyano-2-methyl-6-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-2-methyl-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H14N2O3/c1-7-9(11(16)17-12(2,3)4)5-8(6-13)10(15)14-7/h5H,1-4H3,(H,14,15)