tert-butyl 4-fluoranyl-7-methyl-6-nitro-1H-benzimidazole-2-carboxylate

Systemtic Name: tert-butyl 4-fluoranyl-7-methyl-6-nitro-1H-benzimidazole-2-carboxylate Openeye Name: tert-butyl 4-fluoro-7-methyl-6-nitro-1H-benzimidazole-2-carboxylate CAS Name: 4-fluoro-7-methyl-6-nitro-1H-benzimidazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-7-methyl-6-nitro-1H-benzimidazole-2-carboxylate Traditional Name: 4-fluoro-7-methyl-6-nitro-1H-benzimidazole-2-carboxylic acid tert-butyl ester Formula: C13H14FN3O4 MolecularWeight: 295.266363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1[N+](=O)[O-])F)N=C(N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1[N+](=O)[O-])F)N=C(N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H14FN3O4/c1-6-8(17(19)20)5-7(14)10-9(6)15-11(16-10)12(18)21-13(2,3)4/h5H,1-4H3,(H,15,16)