(Z)-2-diazonio-1-methoxy-3-oxidanylidene-5-pyridin-2-yl-hex-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-methoxy-3-oxidanylidene-5-pyridin-2-yl-hex-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-methoxy-3-oxo-5-(2-pyridyl)hex-1-en-1-olate CAS Name: (Z)-2-diazonio-1-methoxy-3-oxo-5-(2-pyridinyl)-1-hexen-1-olate IUPAC Name: (Z)-2-diazonio-1-methoxy-3-oxo-5-pyridin-2-ylhex-1-en-1-olate Traditional Name: (Z)-2-diazonio-3-keto-1-methoxy-5-(2-pyridyl)hex-1-en-1-olate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(=C([O-])OC)[N+]#N)C1=CC=CC=N1

Isomeric SMILES

CC(CC(=O)/C(=C(\[O-])/OC)/[N+]#N)C1=CC=CC=N1

InChI

InChI=1S/C12H13N3O3/c1-8(9-5-3-4-6-14-9)7-10(16)11(15-13)12(17)18-2/h3-6,8H,7H2,1-2H3