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

Systemtic Name: 5-azanyl-2,4-dicyano-3-phenyl-6-pyridin-1-ium-1-yl-phenolate Openeye Name: 5-amino-2,4-dicyano-3-phenyl-6-pyridin-1-ium-1-yl-phenolate CAS Name: 5-amino-2,4-dicyano-3-phenyl-6-(1-pyridin-1-iumyl)phenolate IUPAC Name: 5-amino-2,4-dicyano-3-phenyl-6-pyridin-1-ium-1-ylphenolate Traditional Name: 5-amino-2,4-dicyano-3-phenyl-6-pyridin-1-ium-1-yl-phenolate Formula: C19H12N4O MolecularWeight: 312.32478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C#N)[O-])[N+]3=CC=CC=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2C#N)[O-])[N+]3=CC=CC=C3)N)C#N

InChI

InChI=1S/C19H12N4O/c20-11-14-16(13-7-3-1-4-8-13)15(12-21)19(24)18(17(14)22)23-9-5-2-6-10-23/h1-10H,22H2