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

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)tetrazol-1-yl]benzonitrile CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-1-tetrazolyl]benzonitrile IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)tetrazol-1-yl]benzonitrile Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)tetrazol-1-yl]benzonitrile Formula: C15H9N5O2 MolecularWeight: 291.26426

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=NN3C4=CC=CC(=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=NN3C4=CC=CC(=C4)C#N

InChI

InChI=1S/C15H9N5O2/c16-8-10-2-1-3-12(6-10)20-15(17-18-19-20)11-4-5-13-14(7-11)22-9-21-13/h1-7H,9H2