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

Systemtic Name: 4-[(E)-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(E)-(2-chloro-3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(E)-(2-chloro-3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(E)-(2-chloro-3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(E)-(2-chloro-3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-phenyl-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=CC=C2)C=C3C=C(C(=O)C(=C3Cl)I)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/3\C=C(C(=O)C(=C3Cl)I)OC

InChI

InChI=1S/C18H14ClIN2O3/c1-10-13(18(24)22(21-10)12-6-4-3-5-7-12)8-11-9-14(25-2)17(23)16(20)15(11)19/h3-9,21H,1-2H3/b11-8+