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

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetonitrile Formula: C11H11N5O2 MolecularWeight: 245.23734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)CC#N)OC

InChI

InChI=1S/C11H11N5O2/c1-17-9-4-3-8(7-10(9)18-2)11-13-15-16(14-11)6-5-12/h3-4,7H,6H2,1-2H3