5-azanyl-2,4-dicyano-3-methyl-6-pyridin-1-ium-1-yl-phenolate

Systemtic Name: 5-azanyl-2,4-dicyano-3-methyl-6-pyridin-1-ium-1-yl-phenolate Openeye Name: 5-amino-2,4-dicyano-3-methyl-6-pyridin-1-ium-1-yl-phenolate CAS Name: 5-amino-2,4-dicyano-3-methyl-6-(1-pyridin-1-iumyl)phenolate IUPAC Name: 5-amino-2,4-dicyano-3-methyl-6-pyridin-1-ium-1-ylphenolate Traditional Name: 5-amino-2,4-dicyano-3-methyl-6-pyridin-1-ium-1-yl-phenolate Formula: C14H10N4O MolecularWeight: 250.2554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C#N)[O-])[N+]2=CC=CC=C2)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C#N)[O-])[N+]2=CC=CC=C2)N)C#N

InChI

InChI=1S/C14H10N4O/c1-9-10(7-15)12(17)13(14(19)11(9)8-16)18-5-3-2-4-6-18/h2-6H,17H2,1H3