5-[1,3-dihydrobenzimidazol-2-ylidene(oxidanyl)methyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 5-[1,3-dihydrobenzimidazol-2-ylidene(oxidanyl)methyl]-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-[1,3-dihydrobenzimidazol-2-ylidene(hydroxy)methyl]-3-nitro-1,2-benzoquinone CAS Name: 5-[1,3-dihydrobenzimidazol-2-ylidene(hydroxy)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-[1,3-dihydrobenzimidazol-2-ylidene(hydroxy)methyl]-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-[1,3-dihydrobenzimidazol-2-ylidene(hydroxy)methyl]-3-nitro-o-benzoquinone Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O5/c18-11-6-7(5-10(13(11)20)17(21)22)12(19)14-15-8-3-1-2-4-9(8)16-14/h1-6,15-16,19H