(Z,4R,5R)-2-diazonio-1-methoxy-4-methyl-3-oxidanylidene-5-pyridin-2-yl-hex-1-en-1-olate

Systemtic Name: (Z,4R,5R)-2-diazonio-1-methoxy-4-methyl-3-oxidanylidene-5-pyridin-2-yl-hex-1-en-1-olate Openeye Name: (Z,4R,5R)-2-diazonio-1-methoxy-4-methyl-3-oxo-5-(2-pyridyl)hex-1-en-1-olate CAS Name: (Z,4R,5R)-2-diazonio-1-methoxy-4-methyl-3-oxo-5-(2-pyridinyl)-1-hexen-1-olate IUPAC Name: (Z,4R,5R)-2-diazonio-1-methoxy-4-methyl-3-oxo-5-pyridin-2-ylhex-1-en-1-olate Traditional Name: (Z,4R,5R)-2-diazonio-3-keto-1-methoxy-4-methyl-5-(2-pyridyl)hex-1-en-1-olate Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-8(10-6-4-5-7-15-10)9(2)12(17)11(16-14)13(18)19-3/h4-9H,1-3H3/t8-,9-/m1/s1