2-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid

Systemtic Name: 2-(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: 2-(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: 2-(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: 2-(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: 2-(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C14H9N3O6 MolecularWeight: 315.23776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=C3C=C(C(=O)C=C3O)[N+](=O)[O-])N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=C3C=C(C(=O)C=C3O)[N+](=O)[O-])N2

InChI

InChI=1S/C14H9N3O6/c18-11-5-12(19)10(17(22)23)4-7(11)13-15-8-2-1-6(14(20)21)3-9(8)16-13/h1-5,15-16,18H,(H,20,21)