2-(4-bromanylphenoxy)ethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C16H13BrN4O3 MolecularWeight: 389.20342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCOC2=CC=C(C=C2)Br)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCOC2=CC=C(C=C2)Br)N3C=NN=N3

InChI

InChI=1S/C16H13BrN4O3/c17-13-3-7-15(8-4-13)23-9-10-24-16(22)12-1-5-14(6-2-12)21-11-18-19-20-21/h1-8,11H,9-10H2