(1Z,6R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-hepta-1,3-dien-1-olate

Systemtic Name: (1Z,6R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-diazonio-3-oxidanyl-5-oxidanylidene-1-phenyl-hepta-1,3-dien-1-olate Openeye Name: (1Z,6R)-4-diazonio-6-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-5-oxo-1-phenyl-hepta-1,3-dien-1-olate CAS Name: (1Z,6R)-4-diazonio-6-(1,3-dioxo-2-isoindolyl)-3-hydroxy-5-oxo-1-phenyl-1-hepta-1,3-dienolate IUPAC Name: (1Z,6R)-4-diazonio-6-(1,3-dioxoisoindol-2-yl)-3-hydroxy-5-oxo-1-phenylhepta-1,3-dien-1-olate Traditional Name: (1Z,6R)-4-diazonio-3-hydroxy-5-keto-1-phenyl-6-phthalimido-hepta-1,3-dien-1-olate Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C(C=C(C1=CC=CC=C1)[O-])O)[N+]#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@H](C(=O)C(=C(/C=C(/C1=CC=CC=C1)\[O-])O)[N+]#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H15N3O5/c1-12(24-20(28)14-9-5-6-10-15(14)21(24)29)19(27)18(23-22)17(26)11-16(25)13-7-3-2-4-8-13/h2-12H,1H3,(H-,25,26,27)/t12-/m1/s1