tert-butyl 4-nitrobenzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-nitrobenzimidazole-1-carboxylate Openeye Name: tert-butyl 4-nitrobenzimidazole-1-carboxylate CAS Name: 4-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-nitrobenzimidazole-1-carboxylate Traditional Name: 4-nitrobenzimidazole-1-carboxylic acid tert-butyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=NC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-7-13-10-8(14)5-4-6-9(10)15(17)18/h4-7H,1-3H3