6-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]cyclohexa-2,4-dien-1-one CAS Name: 6-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(5,7-dinitro-1,3-dihydrobenzofurazan-4-yl)imino]cyclohexa-2,4-dien-1-one Formula: C12H7N5O6 MolecularWeight: 317.21388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N5O6/c18-9-4-2-1-3-6(9)13-10-7(16(19)20)5-8(17(21)22)11-12(10)15-23-14-11/h1-5,14-15H