4-(1,3-dihydrobenzimidazol-2-ylidene)-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-hydroxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])N2

InChI

InChI=1S/C13H9N3O4/c17-11-6-7(5-10(12(11)18)16(19)20)13-14-8-3-1-2-4-9(8)15-13/h1-6,14-15,17H