(1-butyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: (1-butyltetrazol-5-yl)methyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O3/c1-3-4-9-21-15(18-19-20-21)11-24-16(22)8-5-12-10-13(17)6-7-14(12)23-2/h5-8,10H,3-4,9,11H2,1-2H3/b8-5+