4-[5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(4-hydroxy-3-iodo-5-methoxyphenyl)-1-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(4-hydroxy-3-iodo-5-methoxyphenyl)-1-phenylpyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H19IN2O3 MolecularWeight: 486.30233

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=C3C=CC(=O)C=C3)NN2C4=CC=CC=C4)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC(=C3C=CC(=O)C=C3)NN2C4=CC=CC=C4)I)O

InChI

InChI=1S/C22H19IN2O3/c1-28-21-12-15(11-18(23)22(21)27)20-13-19(14-7-9-17(26)10-8-14)24-25(20)16-5-3-2-4-6-16/h2-12,20,24,27H,13H2,1H3