3-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-methoxyphenyl)-2-tetrazolyl]propanenitrile IUPAC Name: 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanenitrile Traditional Name: 3-[5-(4-methoxyphenyl)tetrazol-2-yl]propionitrile Formula: C11H11N5O MolecularWeight: 229.23794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O/c1-17-10-5-3-9(4-6-10)11-13-15-16(14-11)8-2-7-12/h3-6H,2,8H2,1H3