2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)pyridin-2-yl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: 2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)pyridin-2-yl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)-2-pyridyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)-2-pyridinyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)pyridin-2-yl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-[5-cyano-6-methoxy-4-(3-phenoxyphenyl)-2-pyridyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C26H17N2O4- MolecularWeight: 421.42418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=N1)C2=C(C(=O)C=CC=C2)[O-])C3=CC(=CC=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=C(C(=CC(=N1)C2=C(C(=O)C=CC=C2)[O-])C3=CC(=CC=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H18N2O4/c1-31-26-22(16-27)21(15-23(28-26)20-12-5-6-13-24(29)25(20)30)17-8-7-11-19(14-17)32-18-9-3-2-4-10-18/h2-15H,1H3,(H,29,30)/p-1