(2-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-bromobenzyl) ester Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Br

InChI

InChI=1S/C16H12BrN3O2/c17-15-4-2-1-3-13(15)9-22-16(21)12-5-7-14(8-6-12)20-11-18-10-19-20/h1-8,10-11H,9H2