tert-butyl 2-chloranyl-6-nitro-1H-benzimidazol-1-ium-1-carboxylate chloride

Systemtic Name: tert-butyl 2-chloranyl-6-nitro-1H-benzimidazol-1-ium-1-carboxylate chloride Openeye Name: tert-butyl 2-chloro-6-nitro-1H-benzimidazol-1-ium-1-carboxylate chloride CAS Name: 2-chloro-6-nitro-1H-benzimidazol-1-ium-1-carboxylic acid tert-butyl ester chloride IUPAC Name: tert-butyl 2-chloro-6-nitro-1H-benzimidazol-1-ium-1-carboxylate chloride Traditional Name: 2-chloro-6-nitro-1H-benzimidazol-1-ium-1-carboxylic acid tert-butyl ester chloride Formula: C12H13Cl2N3O4 MolecularWeight: 334.15532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[NH+]1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1Cl.[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)[NH+]1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1Cl.[Cl-]

InChI

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