(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic 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)C2=CC(=C(C(=C2)Br)OCC)OC

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=C(C(=C2)Br)OCC)OC

InChI

InChI=1S/C16H21BrN4O4/c1-4-6-7-21-14(18-19-20-21)10-25-16(22)11-8-12(17)15(24-5-2)13(9-11)23-3/h8-9H,4-7,10H2,1-3H3