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

Systemtic Name: (E)-3-azanyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]but-2-enenitrile Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CN1C(=O)C2=CC=CC=C2N=N1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CN1C(=O)C2=CC=CC=C2N=N1)/N

InChI

InChI=1S/C13H11N5O2/c1-8(15)10(6-14)12(19)7-18-13(20)9-4-2-3-5-11(9)16-17-18/h2-5H,7,15H2,1H3/b10-8+