(2E)-3-oxidanylidene-2-piperidin-2-ylidene-3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]propanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-piperidin-2-ylidene-3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]propanenitrile Openeye Name: (2E)-3-oxo-2-(2-piperidylidene)-3-[4-(tetrazol-1-yl)phenyl]propanenitrile CAS Name: (2E)-3-oxo-2-(2-piperidinylidene)-3-[4-(1-tetrazolyl)phenyl]propanenitrile IUPAC Name: (2E)-3-oxo-2-piperidin-2-ylidene-3-[4-(tetrazol-1-yl)phenyl]propanenitrile Traditional Name: (2E)-3-keto-2-(2-piperidylidene)-3-[4-(tetrazol-1-yl)phenyl]propionitrile Formula: C15H14N6O MolecularWeight: 294.31126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=C(C#N)C(=O)C2=CC=C(C=C2)N3C=NN=N3)C1

Isomeric SMILES

C1CCN/C(=C(\C#N)/C(=O)C2=CC=C(C=C2)N3C=NN=N3)/C1

InChI

InChI=1S/C15H14N6O/c16-9-13(14-3-1-2-8-17-14)15(22)11-4-6-12(7-5-11)21-10-18-19-20-21/h4-7,10,17H,1-3,8H2/b14-13+