tert-butyl 2-methyl-4-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-methyl-4-nitro-benzimidazole-1-carboxylate CAS Name: 2-methyl-4-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-nitrobenzimidazole-1-carboxylate Traditional Name: 2-methyl-4-nitro-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-8-14-11-9(6-5-7-10(11)16(18)19)15(8)12(17)20-13(2,3)4/h5-7H,1-4H3