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

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-chloro-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[(3-chloro-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[(3-chloro-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-iodophenyl)-5-methyl-3-pyrazolin-3-one Formula: C18H14ClIN2O3 MolecularWeight: 468.67283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClIN2O3/c1-10-14(7-11-8-15(19)17(23)16(9-11)25-2)18(24)22(21-10)13-5-3-12(20)4-6-13/h3-9,21H,1-2H3