tert-butyl 5-cyano-2-oxidanylidene-3H-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-2-oxidanylidene-3H-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-cyano-2-oxo-3H-benzimidazole-1-carboxylate CAS Name: 5-cyano-2-oxo-3H-benzimidazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-oxo-3H-benzimidazole-1-carboxylate Traditional Name: 5-cyano-2-keto-3H-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)NC1=O

InChI

InChI=1S/C13H13N3O3/c1-13(2,3)19-12(18)16-10-5-4-8(7-14)6-9(10)15-11(16)17/h4-6H,1-3H3,(H,15,17)