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

Systemtic Name: 2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: 2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: 2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: 2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: 2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=C3C=CC(=O)C(=C3)[N+](=O)[O-])N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=C3C=CC(=O)C(=C3)[N+](=O)[O-])N2

InChI

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