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

Systemtic Name: (E)-3-azanyl-2-[2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(5-oxo-4-phenyl-1-tetrazolyl)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(5-oxo-4-phenyltetrazol-1-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(5-keto-4-phenyl-tetrazol-1-yl)acetyl]but-2-enenitrile Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1C(=O)N(N=N1)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C(=O)N(N=N1)C2=CC=CC=C2)/N

InChI

InChI=1S/C13H12N6O2/c1-9(15)11(7-14)12(20)8-18-13(21)19(17-16-18)10-5-3-2-4-6-10/h2-6H,8,15H2,1H3/b11-9+