1-(3-bromophenyl)-5-(2-methylprop-1-enyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5-(2-methylprop-1-enyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-(2-methylprop-1-enyl)-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-(2-methylprop-1-enyl)triazole-4-carboxylate Formula: C13H11BrN3O2- MolecularWeight: 321.14934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-])C

Isomeric SMILES

CC(=CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)[O-])C

InChI

InChI=1S/C13H12BrN3O2/c1-8(2)6-11-12(13(18)19)15-16-17(11)10-5-3-4-9(14)7-10/h3-7H,1-2H3,(H,18,19)/p-1