ditert-butyl 1-[(4-bromophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: ditert-butyl 1-[(4-bromophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: ditert-butyl 1-[(4-bromophenyl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(4-bromophenyl)methyl]triazole-4,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1-[(4-bromophenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(4-bromobenzyl)triazole-4,5-dicarboxylic acid ditert-butyl ester Formula: C19H24BrN3O4 MolecularWeight: 438.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H24BrN3O4/c1-18(2,3)26-16(24)14-15(17(25)27-19(4,5)6)23(22-21-14)11-12-7-9-13(20)10-8-12/h7-10H,11H2,1-6H3