2-[3,4-bis(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]phenyl]-1H-pyrazol-5-one

Systemtic Name: 2-[3,4-bis(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]phenyl]-1H-pyrazol-5-one Openeye Name: 2-[3,4-difluoro-2-(4-iodo-2-methyl-anilino)phenyl]-1H-pyrazol-5-one CAS Name: 2-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-1H-pyrazol-5-one IUPAC Name: 2-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-1H-pyrazol-5-one Traditional Name: 1-[3,4-difluoro-2-(4-iodo-2-methyl-anilino)phenyl]-3-pyrazolin-3-one Formula: C16H12F2IN3O MolecularWeight: 427.187256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2F)F)N3C=CC(=O)N3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2F)F)N3C=CC(=O)N3

InChI

InChI=1S/C16H12F2IN3O/c1-9-8-10(19)2-4-12(9)20-16-13(5-3-11(17)15(16)18)22-7-6-14(23)21-22/h2-8,20H,1H3,(H,21,23)