4-[4-(4-iodanylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(4-iodanylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[4-(4-iodophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[4-(4-iodophenoxy)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[4-(4-iodophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[4-(4-iodophenoxy)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H11IN2O3 MolecularWeight: 394.16391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CNNC2=C3C=CC(=O)C=C3O)I

Isomeric SMILES

C1=CC(=CC=C1OC2=CNNC2=C3C=CC(=O)C=C3O)I

InChI

InChI=1S/C15H11IN2O3/c16-9-1-4-11(5-2-9)21-14-8-17-18-15(14)12-6-3-10(19)7-13(12)20/h1-8,17-18,20H