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

Systemtic Name: 2-[5-cyano-4-(4-ethoxyphenyl)-6-methoxy-pyridin-2-yl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[5-cyano-4-(4-ethoxyphenyl)-6-methoxy-2-pyridyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[5-cyano-4-(4-ethoxyphenyl)-6-methoxy-2-pyridinyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[5-cyano-4-(4-ethoxyphenyl)-6-methoxypyridin-2-yl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-(5-cyano-6-methoxy-4-p-phenetyl-2-pyridyl)-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C22H17N2O4- MolecularWeight: 373.38138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OC)C3=C(C(=O)C=CC=C3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)OC)C3=C(C(=O)C=CC=C3)[O-]

InChI

InChI=1S/C22H18N2O4/c1-3-28-15-10-8-14(9-11-15)17-12-19(24-22(27-2)18(17)13-23)16-6-4-5-7-20(25)21(16)26/h4-12H,3H2,1-2H3,(H,25,26)/p-1