7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-2H-benzotriazole-5-carboxylic acid

Systemtic Name: 7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-2H-benzotriazole-5-carboxylic acid Openeye Name: 7-fluoro-6-(4-iodo-2-methyl-anilino)-2H-benzotriazole-5-carboxylic acid CAS Name: 7-fluoro-6-(4-iodo-2-methylanilino)-2H-benzotriazole-5-carboxylic acid IUPAC Name: 7-fluoro-6-(4-iodo-2-methylanilino)-2H-benzotriazole-5-carboxylic acid Traditional Name: 7-fluoro-6-(4-iodo-2-methyl-anilino)-2H-benzotriazole-5-carboxylic acid Formula: C14H10FIN4O2 MolecularWeight: 412.157673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C3=NNN=C3C=C2C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C3=NNN=C3C=C2C(=O)O)F

InChI

InChI=1S/C14H10FIN4O2/c1-6-4-7(16)2-3-9(6)17-12-8(14(21)22)5-10-13(11(12)15)19-20-18-10/h2-5,17H,1H3,(H,21,22)(H,18,19,20)