3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 6-keto-3-[(4-nitro-1,3-dihydrobenzofurazan-5-yl)imino]cyclohexa-1,4-diene-1-carboxylic acid Formula: C13H8N4O6 MolecularWeight: 316.22582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=NC2=C(C3=C(C=C2)NON3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC1=NC2=C(C3=C(C=C2)NON3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H8N4O6/c18-10-4-1-6(5-7(10)13(19)20)14-9-3-2-8-11(16-23-15-8)12(9)17(21)22/h1-5,15-16H,(H,19,20)