(6E)-6-[4-(2-iodanyl-4,5-dimethoxy-phenyl)-2-phenyl-1H-pyrazol-3-ylidene]-2,3-dimethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(2-iodanyl-4,5-dimethoxy-phenyl)-2-phenyl-1H-pyrazol-3-ylidene]-2,3-dimethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(2-iodo-4,5-dimethoxy-phenyl)-2-phenyl-1H-pyrazol-3-ylidene]-2,3-dimethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(2-iodo-4,5-dimethoxyphenyl)-2-phenyl-1H-pyrazol-3-ylidene]-2,3-dimethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(2-iodo-4,5-dimethoxyphenyl)-2-phenyl-1H-pyrazol-3-ylidene]-2,3-dimethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(2-iodo-4,5-dimethoxy-phenyl)-2-phenyl-3-pyrazolin-3-ylidene]-2,3-dimethoxy-cyclohexa-2,4-dien-1-one Formula: C25H23IN2O5 MolecularWeight: 558.36499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C2C(=CNN2C3=CC=CC=C3)C4=CC(=C(C=C4I)OC)OC)C=C1)OC

Isomeric SMILES

COC1=C(C(=O)/C(=C/2\C(=CNN2C3=CC=CC=C3)C4=CC(=C(C=C4I)OC)OC)/C=C1)OC

InChI

InChI=1S/C25H23IN2O5/c1-30-20-11-10-16(24(29)25(20)33-4)23-18(14-27-28(23)15-8-6-5-7-9-15)17-12-21(31-2)22(32-3)13-19(17)26/h5-14,27H,1-4H3/b23-16+