2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid

Systemtic Name: 2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid Openeye Name: 2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid CAS Name: 2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid IUPAC Name: 2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid Traditional Name: 2,3-dimethoxy-6-(6-nitro-1H-benzimidazol-2-yl)benzoic acid Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C16H13N3O6/c1-24-12-6-4-9(13(16(20)21)14(12)25-2)15-17-10-5-3-8(19(22)23)7-11(10)18-15/h3-7H,1-2H3,(H,17,18)(H,20,21)