methyl 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazole-5-carboxylate Openeye Name: methyl 6-(4-bromo-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylate CAS Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromo-2-methylanilino)-7-fluoro-3H-benzimidazole-5-carboxylate Traditional Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C16H13BrFN3O2 MolecularWeight: 378.195723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)OC)NC=N3)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)OC)NC=N3)F

InChI

InChI=1S/C16H13BrFN3O2/c1-8-5-9(17)3-4-11(8)21-14-10(16(22)23-2)6-12-15(13(14)18)20-7-19-12/h3-7,21H,1-2H3,(H,19,20)