(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H21BrN4O4 MolecularWeight: 413.26634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C16H21BrN4O4/c1-4-5-6-21-15(18-19-20-21)10-25-16(22)8-11-7-13(23-2)14(24-3)9-12(11)17/h7,9H,4-6,8,10H2,1-3H3