ethyl (E)-3-[5-(3-bromophenyl)-1,2,3,4-tetrazol-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-(3-bromophenyl)-1,2,3,4-tetrazol-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[5-(3-bromophenyl)tetrazol-2-yl]prop-2-enoate CAS Name: (E)-3-[5-(3-bromophenyl)-2-tetrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-(3-bromophenyl)tetrazol-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-(3-bromophenyl)tetrazol-2-yl]acrylic acid ethyl ester Formula: C12H11BrN4O2 MolecularWeight: 323.14534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CN1N=C(N=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)/C=C/N1N=C(N=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H11BrN4O2/c1-2-19-11(18)6-7-17-15-12(14-16-17)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3/b7-6+