(3-bromophenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (3-bromophenyl)methyl 5-amino-2-phenyl-triazole-4-carboxylate CAS Name: 5-amino-2-phenyl-4-triazolecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 5-amino-2-phenyltriazole-4-carboxylate Traditional Name: 5-amino-2-phenyl-triazole-4-carboxylic acid (3-bromobenzyl) ester Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(C(=N2)N)C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O2/c17-12-6-4-5-11(9-12)10-23-16(22)14-15(18)20-21(19-14)13-7-2-1-3-8-13/h1-9H,10H2,(H2,18,20)