2-[5-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(4-ethoxy-3-methoxyphenyl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]acetonitrile Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC#N)OC

InChI

InChI=1S/C12H13N5O2/c1-3-19-10-5-4-9(8-11(10)18-2)12-14-16-17(15-12)7-6-13/h4-5,8H,3,7H2,1-2H3