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

Systemtic Name: 2-[5-bromanyl-3,4-bis(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]phenyl]-1H-pyrazol-5-one Openeye Name: 2-[5-bromo-3,4-difluoro-2-(4-iodo-2-methyl-anilino)phenyl]-1H-pyrazol-5-one CAS Name: 2-[5-bromo-3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-1H-pyrazol-5-one IUPAC Name: 2-[5-bromo-3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]-1H-pyrazol-5-one Traditional Name: 1-[5-bromo-3,4-difluoro-2-(4-iodo-2-methyl-anilino)phenyl]-3-pyrazolin-3-one Formula: C16H11BrF2IN3O MolecularWeight: 506.083316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2N3C=CC(=O)N3)Br)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2N3C=CC(=O)N3)Br)F)F

InChI

InChI=1S/C16H11BrF2IN3O/c1-8-6-9(20)2-3-11(8)21-16-12(23-5-4-13(24)22-23)7-10(17)14(18)15(16)19/h2-7,21H,1H3,(H,22,24)