(3E)-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3E)-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3E)-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3E)-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3E)-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3E)-6-keto-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-1,4-diene-1-carboxylic acid Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=C3C=CC(=O)C(=C3)C(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N/C(=C/3\C=CC(=O)C(=C3)C(=O)O)/N2

InChI

InChI=1S/C14H9N3O5/c18-12-4-1-7(5-9(12)14(19)20)13-15-10-3-2-8(17(21)22)6-11(10)16-13/h1-6,15-16H,(H,19,20)/b13-7+