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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]pentanedinitrile Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]pentanedinitrile CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]methyl]pentanedinitrile IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]pentanedinitrile Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]glutaronitrile Formula: C15H16N6O2 MolecularWeight: 312.32654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O2/c1-22-13-6-5-12(8-14(13)23-2)15-18-20-21(19-15)10-11(9-17)4-3-7-16/h5-6,8,11H,3-4,10H2,1-2H3