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

Systemtic Name: 4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15IN2O3 MolecularWeight: 434.22777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)I)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)I)OC

InChI

InChI=1S/C18H15IN2O3/c1-11-14(8-12-9-15(19)17(22)16(10-12)24-2)18(23)21(20-11)13-6-4-3-5-7-13/h3-10,20H,1-2H3