3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[(5,7-dinitro-1,3-dihydrobenzofurazan-4-yl)imino]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C13H7N5O8 MolecularWeight: 361.22338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=NC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NON3)C(=O)O

Isomeric SMILES

C1=CC(=O)C(=CC1=NC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NON3)C(=O)O

InChI

InChI=1S/C13H7N5O8/c19-9-2-1-5(3-6(9)13(20)21)14-10-7(17(22)23)4-8(18(24)25)11-12(10)16-26-15-11/h1-4,15-16H,(H,20,21)