2-[(5E)-1-ethanoyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-yl]ethanenitrile

Systemtic Name: 2-[(5E)-1-ethanoyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-yl]ethanenitrile Openeye Name: 2-[(5E)-1-acetyl-5-benzylidene-3,6-dioxo-piperazin-2-yl]acetonitrile CAS Name: 2-[(5E)-1-acetyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinyl]acetonitrile IUPAC Name: 2-[(5E)-1-acetyl-5-benzylidene-3,6-dioxopiperazin-2-yl]acetonitrile Traditional Name: 2-[(5E)-1-acetyl-5-benzal-3,6-diketo-piperazin-2-yl]acetonitrile Formula: C15H13N3O3 MolecularWeight: 283.28202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(=O)NC(=CC2=CC=CC=C2)C1=O)CC#N

Isomeric SMILES

CC(=O)N1C(C(=O)N/C(=C/C2=CC=CC=C2)/C1=O)CC#N

InChI

InChI=1S/C15H13N3O3/c1-10(19)18-13(7-8-16)14(20)17-12(15(18)21)9-11-5-3-2-4-6-11/h2-6,9,13H,7H2,1H3,(H,17,20)/b12-9+