3-carboxy-5-cyano-4-methyl-N-pyridin-2-yl-benzonitrilium

Systemtic Name: 3-carboxy-5-cyano-4-methyl-N-pyridin-2-yl-benzonitrilium Openeye Name: 3-carboxy-5-cyano-4-methyl-N-(2-pyridyl)benzonitrilium CAS Name: 3-carboxy-5-cyano-4-methyl-N-(2-pyridinyl)benzonitrilium IUPAC Name: 3-carboxy-5-cyano-4-methyl-N-pyridin-2-ylbenzonitrilium Traditional Name: 3-carboxy-5-cyano-4-methyl-N-(2-pyridyl)benzonitrilium Formula: C15H10N3O2+ MolecularWeight: 264.2588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C#N)C#[N+]C2=CC=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1C#N)C#[N+]C2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C15H9N3O2/c1-10-12(8-16)6-11(7-13(10)15(19)20)9-18-14-4-2-3-5-17-14/h2-7H,1H3/p+1