(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-diazonio-but-1-en-2-olate

Systemtic Name: (E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-diazonio-but-1-en-2-olate Openeye Name: (E)-1-diazonio-4-(1,3-dioxoisoindolin-2-yl)but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(1,3-dioxo-2-isoindolyl)-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-(1,3-dioxoisoindol-2-yl)but-1-en-2-olate Traditional Name: (E)-1-diazonio-4-phthalimido-but-1-en-2-olate Formula: C12H9N3O3 MolecularWeight: 243.21816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C12H9N3O3/c13-14-7-8(16)5-6-15-11(17)9-3-1-2-4-10(9)12(15)18/h1-4,7H,5-6H2/b8-7+