2-(4-iodophenyl)-5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-iodophenyl)-5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Openeye Name: 2-(4-iodophenyl)-5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one CAS Name: 2-(4-iodophenyl)-5-methyl-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-iodophenyl)-5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-3-one Traditional Name: 2-(4-iodophenyl)-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H13IN2O2 MolecularWeight: 404.20179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN2O2/c1-11-16(10-12-2-8-15(21)9-3-12)17(22)20(19-11)14-6-4-13(18)5-7-14/h2-10,19H,1H3