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

Systemtic Name: methyl 7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-2H-benzotriazole-5-carboxylate Openeye Name: methyl 7-fluoro-6-(4-iodo-2-methyl-anilino)-2H-benzotriazole-5-carboxylate CAS Name: 7-fluoro-6-(4-iodo-2-methylanilino)-2H-benzotriazole-5-carboxylic acid methyl ester IUPAC Name: methyl 7-fluoro-6-(4-iodo-2-methylanilino)-2H-benzotriazole-5-carboxylate Traditional Name: 7-fluoro-6-(4-iodo-2-methyl-anilino)-2H-benzotriazole-5-carboxylic acid methyl ester Formula: C15H12FIN4O2 MolecularWeight: 426.184253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12FIN4O2/c1-7-5-8(17)3-4-10(7)18-13-9(15(22)23-2)6-11-14(12(13)16)20-21-19-11/h3-6,18H,1-2H3,(H,19,20,21)