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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N5O/c1-17-10-5-2-4-9(8-10)11-13-15-16(14-11)7-3-6-12/h2,4-5,8H,3,7H2,1H3