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

Systemtic Name: hexyl 6-nitro-1-oxidanyl-benzimidazole-2-carboxylate Openeye Name: hexyl 1-hydroxy-6-nitro-benzimidazole-2-carboxylate CAS Name: 1-hydroxy-6-nitro-2-benzimidazolecarboxylic acid hexyl ester IUPAC Name: hexyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate Traditional Name: 1-hydroxy-6-nitro-benzimidazole-2-carboxylic acid hexyl ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-2-3-4-5-8-22-14(18)13-15-11-7-6-10(17(20)21)9-12(11)16(13)19/h6-7,9,19H,2-5,8H2,1H3