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

Systemtic Name: tert-butyl 1-methyl-4-nitro-imidazole-2-carboxylate Openeye Name: tert-butyl 1-methyl-4-nitro-imidazole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methyl-4-nitroimidazole-2-carboxylate Traditional Name: 1-methyl-4-nitro-imidazole-2-carboxylic acid tert-butyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-9(2,3)16-8(13)7-10-6(12(14)15)5-11(7)4/h5H,1-4H3