tert-butyl 3-[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]-5-chloranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]-5-chloranyl-indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-3-(5,6-dichloro-1H-benzimidazol-2-yl)indole-1-carboxylate CAS Name: 5-chloro-3-(5,6-dichloro-1H-benzimidazol-2-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-3-(5,6-dichloro-1H-benzimidazol-2-yl)indole-1-carboxylate Traditional Name: 5-chloro-3-(5,6-dichloro-1H-benzimidazol-2-yl)indole-1-carboxylic acid tert-butyl ester Formula: C20H16Cl3N3O2 MolecularWeight: 436.71894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=CC(=C(C=C4N3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=CC(=C(C=C4N3)Cl)Cl

InChI

InChI=1S/C20H16Cl3N3O2/c1-20(2,3)28-19(27)26-9-12(11-6-10(21)4-5-17(11)26)18-24-15-7-13(22)14(23)8-16(15)25-18/h4-9H,1-3H3,(H,24,25)