methyl 2-[4-(2-bromoethyl)-2-oxidanyl-phenyl]benzotriazole-5-carboxylate

Systemtic Name: methyl 2-[4-(2-bromoethyl)-2-oxidanyl-phenyl]benzotriazole-5-carboxylate Openeye Name: methyl 2-[4-(2-bromoethyl)-2-hydroxy-phenyl]benzotriazole-5-carboxylate CAS Name: 2-[4-(2-bromoethyl)-2-hydroxyphenyl]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromoethyl)-2-hydroxyphenyl]benzotriazole-5-carboxylate Traditional Name: 2-[4-(2-bromoethyl)-2-hydroxy-phenyl]benzotriazole-5-carboxylic acid methyl ester Formula: C16H14BrN3O3 MolecularWeight: 376.20466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3)CCBr)O

Isomeric SMILES

COC(=O)C1=CC2=NN(N=C2C=C1)C3=C(C=C(C=C3)CCBr)O

InChI

InChI=1S/C16H14BrN3O3/c1-23-16(22)11-3-4-12-13(9-11)19-20(18-12)14-5-2-10(6-7-17)8-15(14)21/h2-5,8-9,21H,6-7H2,1H3