[(3R)-3-cyano-5-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-(4-methylsulfonyl-3-nitro-phenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-4-(4-methylsulfonyl-3-nitro-benzoyl)oxy-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[(4-methylsulfonyl-3-nitrophenyl)-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-(4-methylsulfonyl-3-nitrobenzoyl)oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-(4-mesyl-3-nitro-benzoyl)oxy-propyl]vinylammonium Formula: C14H14N3O7S+ MolecularWeight: 368.34186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7S/c1-8(16)10(6-15)12(18)7-24-14(19)9-3-4-13(25(2,22)23)11(5-9)17(20)21/h3-5,10H,1,7,16H2,2H3/p+1/t10-/m0/s1