3-cyano-4-(4-nitrophenyl)-6-[4-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)phenyl]pyridin-2-olate

Systemtic Name: 3-cyano-4-(4-nitrophenyl)-6-[4-(5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-3-yl)phenyl]pyridin-2-olate Openeye Name: 3-cyano-4-(4-nitrophenyl)-6-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]pyridin-2-olate CAS Name: 3-cyano-4-(4-nitrophenyl)-6-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]-2-pyridinolate IUPAC Name: 3-cyano-4-(4-nitrophenyl)-6-[4-(5-oxo-2H-oxadiazol-3-ium-3-yl)phenyl]pyridin-2-olate Traditional Name: 3-cyano-6-[4-(5-keto-2H-oxadiazol-3-ium-3-yl)phenyl]-4-(4-nitrophenyl)pyridin-2-olate Formula: C20H11N5O5 MolecularWeight: 401.33184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)[O-])[N+]4=CC(=O)ON4

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)[O-])[N+]4=CC(=O)ON4

InChI

InChI=1S/C20H11N5O5/c21-10-17-16(12-1-7-15(8-2-12)25(28)29)9-18(22-20(17)27)13-3-5-14(6-4-13)24-11-19(26)30-23-24/h1-9,11H,(H-,22,23,26,27)