(3-bromanyl-4-methoxy-phenyl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C16H13BrN4O3 MolecularWeight: 389.20342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)Br

InChI

InChI=1S/C16H13BrN4O3/c1-23-15-7-2-11(8-14(15)17)9-24-16(22)12-3-5-13(6-4-12)21-10-18-19-20-21/h2-8,10H,9H2,1H3