5-(1H-benzimidazol-2-yl)-4-nitro-6-(oxidanylidenemethylidene)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-(1H-benzimidazol-2-yl)-4-nitro-6-(oxidanylidenemethylidene)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-(1H-benzimidazol-2-yl)-4-nitro-6-(oxomethylene)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-(1H-benzimidazol-2-yl)-4-nitro-6-(oxomethylidene)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-(1H-benzimidazol-2-yl)-4-nitro-6-(oxomethylidene)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-(1H-benzimidazol-2-yl)-6-(ketomethylene)-4-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C15H9N3O5 MolecularWeight: 311.24906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3C(=CC=C(C3=C=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3C(=CC=C(C3=C=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O5/c19-7-9-8(15(20)21)5-6-12(18(22)23)13(9)14-16-10-3-1-2-4-11(10)17-14/h1-6,13H,(H,16,17)(H,20,21)