2-[5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(3,4,5-trimethoxyphenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC#N

InChI

InChI=1S/C12H13N5O3/c1-18-9-6-8(7-10(19-2)11(9)20-3)12-14-16-17(15-12)5-4-13/h6-7H,5H2,1-3H3