2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole-4-carboxylic acid Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)CC3=NC4=C(N3)C=CC=C4[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)CC3=NC4=C(N3)C=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11N5O4/c22-16(23)8-3-1-4-9-14(8)19-12(17-9)7-13-18-10-5-2-6-11(21(24)25)15(10)20-13/h1-6H,7H2,(H,17,19)(H,18,20)(H,22,23)