5-azanyl-1-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazole-3,4-dicarbonitrile

Systemtic Name: 5-azanyl-1-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazole-3,4-dicarbonitrile Openeye Name: 5-amino-1-(2-oxo-2-pyridin-1-ium-1-yl-ethyl)pyrazole-3,4-dicarbonitrile CAS Name: 5-amino-1-[2-oxo-2-(1-pyridin-1-iumyl)ethyl]pyrazole-3,4-dicarbonitrile IUPAC Name: 5-amino-1-(2-oxo-2-pyridin-1-ium-1-ylethyl)pyrazole-3,4-dicarbonitrile Traditional Name: 5-amino-1-(2-keto-2-pyridin-1-ium-1-yl-ethyl)pyrazole-3,4-dicarbonitrile Formula: C12H9N6O+ MolecularWeight: 253.23946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=O)CN2C(=C(C(=N2)C#N)C#N)N

Isomeric SMILES

C1=CC=[N+](C=C1)C(=O)CN2C(=C(C(=N2)C#N)C#N)N

InChI

InChI=1S/C12H9N6O/c13-6-9-10(7-14)16-18(12(9)15)8-11(19)17-4-2-1-3-5-17/h1-5H,8,15H2/q+1