(2E)-3-oxidanylidene-2-piperidin-2-ylidene-3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]propanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-piperidin-2-ylidene-3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]propanenitrile Openeye Name: (2E)-3-oxo-2-(2-piperidylidene)-3-[4-(2H-tetrazol-5-yl)phenyl]propanenitrile CAS Name: (2E)-3-oxo-2-(2-piperidinylidene)-3-[4-(2H-tetrazol-5-yl)phenyl]propanenitrile IUPAC Name: (2E)-3-oxo-2-piperidin-2-ylidene-3-[4-(2H-tetrazol-5-yl)phenyl]propanenitrile Traditional Name: (2E)-3-keto-2-(2-piperidylidene)-3-[4-(2H-tetrazol-5-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)C3=NNN=N3)C1

Isomeric SMILES

C1CCN/C(=C(\C#N)/C(=O)C2=CC=C(C=C2)C3=NNN=N3)/C1

InChI

InChI=1S/C15H14N6O/c16-9-12(13-3-1-2-8-17-13)14(22)10-4-6-11(7-5-10)15-18-20-21-19-15/h4-7,17H,1-3,8H2,(H,18,19,20,21)/b13-12+