tert-butyl 2,4-dimethyl-5-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2,4-dimethyl-5-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2,4-dimethyl-5-nitro-benzimidazole-1-carboxylate CAS Name: 2,4-dimethyl-5-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,4-dimethyl-5-nitrobenzimidazole-1-carboxylate Traditional Name: 2,4-dimethyl-5-nitro-benzimidazole-1-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(N2C(=O)OC(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1N=C(N2C(=O)OC(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c1-8-10(17(19)20)6-7-11-12(8)15-9(2)16(11)13(18)21-14(3,4)5/h6-7H,1-5H3