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

Systemtic Name: methyl 3-[[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzoate Openeye Name: methyl 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]benzoate CAS Name: 3-[[5-(4-bromophenyl)-2-tetrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]benzoate Traditional Name: 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]benzoic acid methyl ester Formula: C16H13BrN4O2 MolecularWeight: 373.20402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2N=C(N=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2N=C(N=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN4O2/c1-23-16(22)13-4-2-3-11(9-13)10-21-19-15(18-20-21)12-5-7-14(17)8-6-12/h2-9H,10H2,1H3