(E)-2-diazonio-1,4-dimethoxy-4-oxidanylidene-3-phenylazanyl-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1,4-dimethoxy-4-oxidanylidene-3-phenylazanyl-but-1-en-1-olate Openeye Name: (E)-3-anilino-2-diazonio-1,4-dimethoxy-4-oxo-but-1-en-1-olate CAS Name: (E)-3-anilino-2-diazonio-1,4-dimethoxy-4-oxo-1-buten-1-olate IUPAC Name: (E)-3-anilino-2-diazonio-1,4-dimethoxy-4-oxobut-1-en-1-olate Traditional Name: (E)-3-anilino-2-diazonio-4-keto-1,4-dimethoxy-but-1-en-1-olate Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C([O-])OC)[N+]#N)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(/C(=C(/[O-])\OC)/[N+]#N)NC1=CC=CC=C1

InChI

InChI=1S/C12H13N3O4/c1-18-11(16)9(10(15-13)12(17)19-2)14-8-6-4-3-5-7-8/h3-7,9,14H,1-2H3/b12-10+