6,7-bis(fluoranyl)-5-[(4-iodanyl-2-methyl-phenyl)amino]-1,3-benzoxazole-4-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-5-[(4-iodanyl-2-methyl-phenyl)amino]-1,3-benzoxazole-4-carboxylic acid Openeye Name: 6,7-difluoro-5-(4-iodo-2-methyl-anilino)-1,3-benzoxazole-4-carboxylic acid CAS Name: 6,7-difluoro-5-(4-iodo-2-methylanilino)-1,3-benzoxazole-4-carboxylic acid IUPAC Name: 6,7-difluoro-5-(4-iodo-2-methylanilino)-1,3-benzoxazole-4-carboxylic acid Traditional Name: 6,7-difluoro-5-(4-iodo-2-methyl-anilino)-1,3-benzoxazole-4-carboxylic acid Formula: C15H9F2IN2O3 MolecularWeight: 430.144836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=C3C(=C2C(=O)O)N=CO3)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C3C(=C2C(=O)O)N=CO3)F)F

InChI

InChI=1S/C15H9F2IN2O3/c1-6-4-7(18)2-3-8(6)20-12-9(15(21)22)13-14(23-5-19-13)11(17)10(12)16/h2-5,20H,1H3,(H,21,22)