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

Systemtic Name: 3-[5-(4-ethoxy-3-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-ethoxy-3-methoxyphenyl)-2-tetrazolyl]propanenitrile IUPAC Name: 3-[5-(4-ethoxy-3-methoxyphenyl)tetrazol-2-yl]propanenitrile Traditional Name: 3-[5-(4-ethoxy-3-methoxy-phenyl)tetrazol-2-yl]propionitrile Formula: C13H15N5O2 MolecularWeight: 273.2905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2/c1-3-20-11-6-5-10(9-12(11)19-2)13-15-17-18(16-13)8-4-7-14/h5-6,9H,3-4,8H2,1-2H3