3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 3-[(4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-keto-3-[(7-nitro-1,3-dihydrobenzofurazan-4-yl)imino]cyclohexa-1,4-diene-1-carboxylate Formula: C13H7N4O6- MolecularWeight: 315.21788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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