[(3S)-3-cyano-5-(4-methanoylphenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-5-(4-methanoylphenyl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-4-(4-formylbenzoyl)oxy-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-3-cyano-5-[(4-formylphenyl)-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-5-(4-formylbenzoyl)oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-3-(4-formylbenzoyl)oxy-2-keto-propyl]vinylammonium Formula: C14H13N2O4+ MolecularWeight: 273.26402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/c1-9(16)12(6-15)13(18)8-20-14(19)11-4-2-10(7-17)3-5-11/h2-5,7,12H,1,8,16H2/p+1/t12-/m1/s1