tert-butyl 2-chloranyl-5-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-5-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-chloro-5-nitro-benzimidazole-1-carboxylate CAS Name: 2-chloro-5-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-5-nitrobenzimidazole-1-carboxylate Traditional Name: 2-chloro-5-nitro-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C12H12ClN3O4 MolecularWeight: 297.69438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1Cl

InChI

InChI=1S/C12H12ClN3O4/c1-12(2,3)20-11(17)15-9-5-4-7(16(18)19)6-8(9)14-10(15)13/h4-6H,1-3H3