(E)-1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-diazonio-3-oxidanyl-3-phenyl-but-1-en-1-olate

Systemtic Name: (E)-1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-diazonio-3-oxidanyl-3-phenyl-but-1-en-1-olate Openeye Name: (E)-1-(2-amino-3-hydroxy-3-oxo-propoxy)-2-diazonio-3-hydroxy-3-phenyl-but-1-en-1-olate CAS Name: (E)-1-(2-amino-3-hydroxy-3-oxopropoxy)-2-diazonio-3-hydroxy-3-phenyl-1-buten-1-olate IUPAC Name: (E)-1-(2-amino-3-hydroxy-3-oxopropoxy)-2-diazonio-3-hydroxy-3-phenylbut-1-en-1-olate Traditional Name: (E)-1-(2-amino-3-hydroxy-3-keto-propoxy)-2-diazonio-3-hydroxy-3-phenyl-but-1-en-1-olate Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=C([O-])OCC(C(=O)O)N)[N+]#N)O

Isomeric SMILES

CC(C1=CC=CC=C1)(/C(=C(/[O-])\OCC(C(=O)O)N)/[N+]#N)O

InChI

InChI=1S/C13H15N3O5/c1-13(20,8-5-3-2-4-6-8)10(16-15)12(19)21-7-9(14)11(17)18/h2-6,9,20H,7,14H2,1H3,(H-,17,18,19)/b12-10+