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

Systemtic Name: 3-[4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-phenyl]-4H-1,2-oxazol-5-one Openeye Name: 3-[4-fluoro-2-(4-iodo-2-methyl-anilino)-5-nitro-phenyl]-4H-isoxazol-5-one CAS Name: 3-[4-fluoro-2-(4-iodo-2-methylanilino)-5-nitrophenyl]-4H-isoxazol-5-one IUPAC Name: 3-[4-fluoro-2-(4-iodo-2-methylanilino)-5-nitrophenyl]-4H-1,2-oxazol-5-one Traditional Name: 3-[4-fluoro-2-(4-iodo-2-methyl-anilino)-5-nitro-phenyl]-2-isoxazolin-5-one Formula: C16H11FIN3O4 MolecularWeight: 455.179113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C3=NOC(=O)C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C3=NOC(=O)C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H11FIN3O4/c1-8-4-9(18)2-3-12(8)19-13-6-11(17)15(21(23)24)5-10(13)14-7-16(22)25-20-14/h2-6,19H,7H2,1H3