2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetonitrile CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetonitrile Formula: C10H7N5O2 MolecularWeight: 229.19488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC#N

InChI

InChI=1S/C10H7N5O2/c11-3-4-15-13-10(12-14-15)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,4,6H2