[4,5-dicyano-2-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]azanium

Systemtic Name: [4,5-dicyano-2-(2-oxidanylidene-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]azanium Openeye Name: [4,5-dicyano-2-(2-oxo-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]ammonium CAS Name: [4,5-dicyano-2-[2-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-pyrazolyl]ammonium IUPAC Name: [4,5-dicyano-2-(2-oxo-2-pyridin-1-ium-1-ylethyl)pyrazol-3-yl]azanium Traditional Name: [4,5-dicyano-2-(2-keto-2-pyridin-1-ium-1-yl-ethyl)pyrazol-3-yl]ammonium Formula: C12H10N6O+2 MolecularWeight: 254.2474

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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)[NH3+]

Isomeric SMILES

C1=CC=[N+](C=C1)C(=O)CN2C(=C(C(=N2)C#N)C#N)[NH3+]

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/p+1