N-butyl-6-nitro-1-oxidanyl-benzimidazole-2-carboxamide

Systemtic Name: N-butyl-6-nitro-1-oxidanyl-benzimidazole-2-carboxamide Openeye Name: N-butyl-1-hydroxy-6-nitro-benzimidazole-2-carboxamide CAS Name: N-butyl-1-hydroxy-6-nitro-2-benzimidazolecarboxamide IUPAC Name: N-butyl-1-hydroxy-6-nitrobenzimidazole-2-carboxamide Traditional Name: N-butyl-1-hydroxy-6-nitro-benzimidazole-2-carboxamide Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4/c1-2-3-6-13-12(17)11-14-9-5-4-8(16(19)20)7-10(9)15(11)18/h4-5,7,18H,2-3,6H2,1H3,(H,13,17)