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

Systemtic Name: 3-[4-[6-azanyl-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[6-amino-5-cyano-4-(4-methoxyphenyl)-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[6-amino-5-cyano-4-(4-methoxyphenyl)-2-pyridinyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[6-amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[6-amino-5-cyano-4-(4-methoxyphenyl)-2-pyridyl]phenyl]oxadiazol-3-ium-5-olate Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)[N+]4=NOC(=C4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)[N+]4=NOC(=C4)[O-]

InChI

InChI=1S/C21H15N5O3/c1-28-16-8-4-13(5-9-16)17-10-19(24-21(23)18(17)11-22)14-2-6-15(7-3-14)26-12-20(27)29-25-26/h2-10,12H,1H3,(H2-,23,24,25,27)