(E)-1-(3-azanyl-4-oxidanyl-4-oxidanylidene-butoxy)-2-diazonio-3-oxidanyl-but-1-en-1-olate

Systemtic Name: (E)-1-(3-azanyl-4-oxidanyl-4-oxidanylidene-butoxy)-2-diazonio-3-oxidanyl-but-1-en-1-olate Openeye Name: (E)-1-(3-amino-4-hydroxy-4-oxo-butoxy)-2-diazonio-3-hydroxy-but-1-en-1-olate CAS Name: (E)-1-(3-amino-4-hydroxy-4-oxobutoxy)-2-diazonio-3-hydroxy-1-buten-1-olate IUPAC Name: (E)-1-(3-amino-4-hydroxy-4-oxobutoxy)-2-diazonio-3-hydroxybut-1-en-1-olate Traditional Name: (E)-1-(3-amino-4-hydroxy-4-keto-butoxy)-2-diazonio-3-hydroxy-but-1-en-1-olate Formula: C8H13N3O5 MolecularWeight: 231.20592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(/C(=C(/[O-])\OCCC(C(=O)O)N)/[N+]#N)O

InChI

InChI=1S/C8H13N3O5/c1-4(12)6(11-10)8(15)16-3-2-5(9)7(13)14/h4-5,12H,2-3,9H2,1H3,(H-,13,14,15)/b8-6+