(E,3S)-1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-2-diazonio-3-oxidanyl-but-1-en-1-olate

Systemtic Name: (E,3S)-1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-2-diazonio-3-oxidanyl-but-1-en-1-olate Openeye Name: (E,3S)-1-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-2-diazonio-3-hydroxy-but-1-en-1-olate CAS Name: (E,3S)-1-[(2S)-2-amino-3-hydroxy-3-oxopropoxy]-2-diazonio-3-hydroxy-1-buten-1-olate IUPAC Name: (E,3S)-1-[(2S)-2-amino-3-hydroxy-3-oxopropoxy]-2-diazonio-3-hydroxybut-1-en-1-olate Traditional Name: (E,3S)-1-[(2S)-2-amino-3-hydroxy-3-keto-propoxy]-2-diazonio-3-hydroxy-but-1-en-1-olate Formula: C7H11N3O5 MolecularWeight: 217.17934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C([O-])OCC(C(=O)O)N)[N+]#N)O

Isomeric SMILES

C[C@@H](/C(=C(/[O-])\OC[C@@H](C(=O)O)N)/[N+]#N)O

InChI

InChI=1S/C7H11N3O5/c1-3(11)5(10-9)7(14)15-2-4(8)6(12)13/h3-4,11H,2,8H2,1H3,(H-,12,13,14)/b7-5+/t3-,4-/m0/s1