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

Systemtic Name: 7,8-bis(fluoranyl)-1-(4-iodanyl-2-methyl-phenyl)-2-oxidanylidene-4H-3,1-benzoxazine-6-carboxylic acid Openeye Name: 7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-2-oxo-4H-3,1-benzoxazine-6-carboxylic acid CAS Name: 7,8-difluoro-1-(4-iodo-2-methylphenyl)-2-oxo-4H-3,1-benzoxazine-6-carboxylic acid IUPAC Name: 7,8-difluoro-1-(4-iodo-2-methylphenyl)-2-oxo-4H-3,1-benzoxazine-6-carboxylic acid Traditional Name: 7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-2-keto-4H-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)N2C3=C(COC2=O)C=C(C(=C3F)F)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C3=C(COC2=O)C=C(C(=C3F)F)C(=O)O

InChI

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