tert-butyl 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylate

Systemtic Name: tert-butyl 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylate Openeye Name: tert-butyl 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylate CAS Name: 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylate Traditional Name: 2,7-dimethyl-6-nitro-3H-benzimidazole-5-carboxylic acid tert-butyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1N=C(N2)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC2=C1N=C(N2)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c1-7-11-10(15-8(2)16-11)6-9(12(7)17(19)20)13(18)21-14(3,4)5/h6H,1-5H3,(H,15,16)