2-chloranyl-6-ethyl-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile

Systemtic Name: 2-chloranyl-6-ethyl-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile Openeye Name: 2-chloro-6-ethyl-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile CAS Name: 2-chloro-6-ethyl-5-(1-oxido-4-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-chloro-6-ethyl-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile Traditional Name: 2-chloro-6-ethyl-5-(1-oxidopyridin-1-ium-4-yl)nicotinonitrile Formula: C13H10ClN3O MolecularWeight: 259.691

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)Cl)C#N)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=N1)Cl)C#N)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C13H10ClN3O/c1-2-12-11(7-10(8-15)13(14)16-12)9-3-5-17(18)6-4-9/h3-7H,2H2,1H3