3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methoxy]benzoate

Systemtic Name: 3-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methoxy]benzoate Openeye Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]methoxy]benzoate CAS Name: 3-[[1-(4-bromophenyl)-5-tetrazolyl]methoxy]benzoate IUPAC Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]methoxy]benzoate Traditional Name: 3-[[1-(4-bromophenyl)tetrazol-5-yl]methoxy]benzoate Formula: C15H10BrN4O3- MolecularWeight: 374.1689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NN=NN2C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NN=NN2C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C15H11BrN4O3/c16-11-4-6-12(7-5-11)20-14(17-18-19-20)9-23-13-3-1-2-10(8-13)15(21)22/h1-8H,9H2,(H,21,22)/p-1