butyl 6-nitro-1-oxidanyl-benzimidazole-2-carboxylate

Systemtic Name: butyl 6-nitro-1-oxidanyl-benzimidazole-2-carboxylate Openeye Name: butyl 1-hydroxy-6-nitro-benzimidazole-2-carboxylate CAS Name: 1-hydroxy-6-nitro-2-benzimidazolecarboxylic acid butyl ester IUPAC Name: butyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate Traditional Name: 1-hydroxy-6-nitro-benzimidazole-2-carboxylic acid butyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC2=C(N1O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=NC2=C(N1O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-2-3-6-20-12(16)11-13-9-5-4-8(15(18)19)7-10(9)14(11)17/h4-5,7,17H,2-3,6H2,1H3