(E)-3-azanyl-2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(5-phenyltetrazol-2-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(5-phenyltetrazol-2-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(5-phenyltetrazol-2-yl)acetyl]but-2-enenitrile Formula: C13H12N6O MolecularWeight: 268.27398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1N=C(N=N1)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1N=C(N=N1)C2=CC=CC=C2)/N

InChI

InChI=1S/C13H12N6O/c1-9(15)11(7-14)12(20)8-19-17-13(16-18-19)10-5-3-2-4-6-10/h2-6H,8,15H2,1H3/b11-9+