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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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