3-(2,6-dimethyl-3-nitro-phenyl)-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-(2,6-dimethyl-3-nitro-phenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-(2,6-dimethyl-3-nitro-phenyl)oxadiazol-3-ium-5-olate CAS Name: 3-(2,6-dimethyl-3-nitrophenyl)-5-oxadiazol-3-iumolate IUPAC Name: 3-(2,6-dimethyl-3-nitrophenyl)oxadiazol-3-ium-5-olate Traditional Name: 3-(2,6-dimethyl-3-nitro-phenyl)oxadiazol-3-ium-5-olate Formula: C10H9N3O4 MolecularWeight: 235.19616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)[N+]2=NOC(=C2)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)[N+]2=NOC(=C2)[O-]

InChI

InChI=1S/C10H9N3O4/c1-6-3-4-8(13(15)16)7(2)10(6)12-5-9(14)17-11-12/h3-5H,1-2H3