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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CN1C(=O)C2=CC=CC=C2C1=O)[N+]#N)[O-]

Isomeric SMILES

C/C(=C(/CN1C(=O)C2=CC=CC=C2C1=O)\[N+]#N)/[O-]

InChI

InChI=1S/C12H9N3O3/c1-7(16)10(14-13)6-15-11(17)8-4-2-3-5-9(8)12(15)18/h2-5H,6H2,1H3/b10-7+