[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C16H13BrN4O4 MolecularWeight: 405.20282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C16H13BrN4O4/c1-23-13-7-10(8-14(24-2)15(13)17)16(22)25-12-5-3-11(4-6-12)21-9-18-19-20-21/h3-9H,1-2H3