(1Z)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-hepta-1,3-dien-1-olate

Systemtic Name: (1Z)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-hepta-1,3-dien-1-olate Openeye Name: (1Z)-4-diazonio-7-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-5-oxo-1-phenyl-hepta-1,3-dien-1-olate CAS Name: (1Z)-4-diazonio-7-(1,3-dioxo-2-isoindolyl)-3-hydroxy-5-oxo-1-phenyl-1-hepta-1,3-dienolate IUPAC Name: (1Z)-4-diazonio-7-(1,3-dioxoisoindol-2-yl)-3-hydroxy-5-oxo-1-phenylhepta-1,3-dien-1-olate Traditional Name: (1Z)-4-diazonio-3-hydroxy-5-keto-1-phenyl-7-phthalimido-hepta-1,3-dien-1-olate Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=C(C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)[N+]#N)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C(=C(C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)[N+]#N)O)/[O-]

InChI

InChI=1S/C21H15N3O5/c22-23-19(18(27)12-17(26)13-6-2-1-3-7-13)16(25)10-11-24-20(28)14-8-4-5-9-15(14)21(24)29/h1-9,12H,10-11H2,(H-,25,26,27)