2-(3-bromophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 2-(3-bromophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 2-(3-bromophenyl)triazole-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-triazolecarboxylate IUPAC Name: 2-(3-bromophenyl)triazole-4-carboxylate Traditional Name: 2-(3-bromophenyl)triazole-4-carboxylate Formula: C9H5BrN3O2- MolecularWeight: 267.0589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2N=CC(=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2N=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C9H6BrN3O2/c10-6-2-1-3-7(4-6)13-11-5-8(12-13)9(14)15/h1-5H,(H,14,15)/p-1