[(3R)-3-cyano-5-[2-(2-nitrophenoxy)ethanoyloxy]-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-[2-(2-nitrophenoxy)ethanoyloxy]-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-4-[2-(2-nitrophenoxy)acetyl]oxy-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[2-(2-nitrophenoxy)-1-oxoethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[2-(2-nitrophenoxy)acetyl]oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-[2-(2-nitrophenoxy)acetyl]oxy-propyl]vinylammonium Formula: C14H14N3O6+ MolecularWeight: 320.27746

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)COC1=CC=CC=C1[N+](=O)[O-])[NH3+]

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)COC1=CC=CC=C1[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C14H13N3O6/c1-9(16)10(6-15)12(18)7-23-14(19)8-22-13-5-3-2-4-11(13)17(20)21/h2-5,10H,1,7-8,16H2/p+1/t10-/m0/s1