N'-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-N-(cyanomethyl)ethanediamide

Systemtic Name: N'-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-N-(cyanomethyl)ethanediamide Openeye Name: N-(cyanomethyl)-N'-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)oxamide CAS Name: N-(cyanomethyl)-N'-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)oxamide IUPAC Name: N-(cyanomethyl)-N'-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)oxamide Traditional Name: N-(cyanomethyl)-N'-(1,4-diketo-2,3-dihydrophthalazin-5-yl)oxamide Formula: C12H9N5O4 MolecularWeight: 287.23096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C(=O)NCC#N)C(=O)NNC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C(=O)NCC#N)C(=O)NNC2=O

InChI

InChI=1S/C12H9N5O4/c13-4-5-14-11(20)12(21)15-7-3-1-2-6-8(7)10(19)17-16-9(6)18/h1-3H,5H2,(H,14,20)(H,15,21)(H,16,18)(H,17,19)