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

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]butanenitrile Openeye Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butanenitrile CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]butanenitrile IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butanenitrile Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butyronitrile Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O2/c13-5-1-2-6-17-15-12(14-16-17)9-3-4-10-11(7-9)19-8-18-10/h3-4,7H,1-2,6,8H2