4-[(E)-(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2,5-diphenyl-1H-pyrazol-3-one

Systemtic Name: 4-[(E)-(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2,5-diphenyl-1H-pyrazol-3-one Openeye Name: 4-[(E)-(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2,5-diphenyl-1H-pyrazol-3-one CAS Name: 4-[(E)-(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 4-[(E)-(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,5-diphenyl-1H-pyrazol-3-one Traditional Name: 4-[(E)-(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2,5-diphenyl-3-pyrazolin-3-one Formula: C23H17IN2O3 MolecularWeight: 496.29715

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)I

Isomeric SMILES

COC1=C/C(=C\C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)/C=C(C1=O)I

InChI

InChI=1S/C23H17IN2O3/c1-29-20-14-15(13-19(24)22(20)27)12-18-21(16-8-4-2-5-9-16)25-26(23(18)28)17-10-6-3-7-11-17/h2-14,25H,1H3/b15-12-