(E,4S)-4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbonylamino]-1-diazonio-5-methoxy-5-oxidanylidene-pent-1-en-2-olate

Systemtic Name: (E,4S)-4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbonylamino]-1-diazonio-5-methoxy-5-oxidanylidene-pent-1-en-2-olate Openeye Name: (E,4S)-1-diazonio-4-[(1,3-dioxoisoindoline-2-carbonyl)amino]-5-methoxy-5-oxo-pent-1-en-2-olate CAS Name: (E,4S)-1-diazonio-4-[[(1,3-dioxo-2-isoindolyl)-oxomethyl]amino]-5-methoxy-5-oxo-1-penten-2-olate IUPAC Name: (E,4S)-1-diazonio-4-[(1,3-dioxoisoindole-2-carbonyl)amino]-5-methoxy-5-oxopent-1-en-2-olate Traditional Name: (E,4S)-1-diazonio-4-[(1,3-diketoisoindoline-2-carbonyl)amino]-5-keto-5-methoxy-pent-1-en-2-olate Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=C[N+]#N)[O-])NC(=O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](C/C(=C\[N+]#N)/[O-])NC(=O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C15H12N4O6/c1-25-14(23)11(6-8(20)7-17-16)18-15(24)19-12(21)9-4-2-3-5-10(9)13(19)22/h2-5,7,11H,6H2,1H3,(H-,18,20,24)/b8-7+/t11-/m0/s1