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

Systemtic Name: 2-[4-(3-chlorophenyl)-5-cyano-6-methoxy-pyridin-2-yl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[4-(3-chlorophenyl)-5-cyano-6-methoxy-2-pyridyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[4-(3-chlorophenyl)-5-cyano-6-methoxy-2-pyridinyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[4-(3-chlorophenyl)-5-cyano-6-methoxypyridin-2-yl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-[4-(3-chlorophenyl)-5-cyano-6-methoxy-2-pyridyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C20H12ClN2O3- MolecularWeight: 363.77388

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O3/c1-26-20-16(11-22)15(12-5-4-6-13(21)9-12)10-17(23-20)14-7-2-3-8-18(24)19(14)25/h2-10H,1H3,(H,24,25)/p-1