7,8-bis(fluoranyl)-1-(4-iodanyl-2-methyl-phenyl)-4-oxidanylidene-2H-3,1-benzoxazine-6-carboxylic acid

Systemtic Name: 7,8-bis(fluoranyl)-1-(4-iodanyl-2-methyl-phenyl)-4-oxidanylidene-2H-3,1-benzoxazine-6-carboxylic acid Openeye Name: 7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-4-oxo-2H-3,1-benzoxazine-6-carboxylic acid CAS Name: 7,8-difluoro-1-(4-iodo-2-methylphenyl)-4-oxo-2H-3,1-benzoxazine-6-carboxylic acid IUPAC Name: 7,8-difluoro-1-(4-iodo-2-methylphenyl)-4-oxo-2H-3,1-benzoxazine-6-carboxylic acid Traditional Name: 7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-4-keto-2H-3,1-benzoxazine-6-carboxylic acid Formula: C16H10F2INO4 MolecularWeight: 445.156176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2COC(=O)C3=CC(=C(C(=C32)F)F)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2COC(=O)C3=CC(=C(C(=C32)F)F)C(=O)O

InChI

InChI=1S/C16H10F2INO4/c1-7-4-8(19)2-3-11(7)20-6-24-16(23)10-5-9(15(21)22)12(17)13(18)14(10)20/h2-5H,6H2,1H3,(H,21,22)