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

Systemtic Name: 3-[4-[6-azanyl-5-cyano-4-(4-nitrophenyl)pyridin-2-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridinyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)pyridin-2-yl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate Formula: C20H12N6O4 MolecularWeight: 400.34708

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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)N)[N+]4=NOC(=C4)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)[N+]4=NOC(=C4)[O-]

InChI

InChI=1S/C20H12N6O4/c21-10-17-16(12-1-7-15(8-2-12)26(28)29)9-18(23-20(17)22)13-3-5-14(6-4-13)25-11-19(27)30-24-25/h1-9,11H,(H2-,22,23,24,27)