2-(5-nitrothiophen-3-yl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(5-nitrothiophen-3-yl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(5-nitro-3-thienyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(5-nitro-3-thiophenyl)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(5-nitrothiophen-3-yl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(5-nitro-3-thienyl)-3H-benzimidazole-5-carboxylic acid Formula: C12H7N3O4S MolecularWeight: 289.26668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O4S/c16-12(17)6-1-2-8-9(3-6)14-11(13-8)7-4-10(15(18)19)20-5-7/h1-5H,(H,13,14)(H,16,17)