[(3R,4S,5S)-3-cyano-5-ethoxycarbonyl-4-(furan-2-yl)-6-(4-nitrophenyl)-6-oxidanylidene-hex-1-en-2-yl]azanium

Systemtic Name: [(3R,4S,5S)-3-cyano-5-ethoxycarbonyl-4-(furan-2-yl)-6-(4-nitrophenyl)-6-oxidanylidene-hex-1-en-2-yl]azanium Openeye Name: [(2R,3S,4S)-2-cyano-4-ethoxycarbonyl-3-(2-furyl)-1-methylene-5-(4-nitrophenyl)-5-oxo-pentyl]ammonium CAS Name: [(3R,4S,5S)-3-cyano-5-ethoxycarbonyl-4-(2-furanyl)-6-(4-nitrophenyl)-6-oxohex-1-en-2-yl]ammonium IUPAC Name: [(3R,4S,5S)-3-cyano-5-ethoxycarbonyl-4-(furan-2-yl)-6-(4-nitrophenyl)-6-oxohex-1-en-2-yl]azanium Traditional Name: 1-[(1R,2S,3S)-3-carbethoxy-1-cyano-2-(2-furyl)-4-keto-4-(4-nitrophenyl)butyl]vinylammonium Formula: C20H20N3O6+ MolecularWeight: 398.3893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CO1)C(C#N)C(=C)[NH3+])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC=CO1)[C@@H](C#N)C(=C)[NH3+])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-3-28-20(25)18(19(24)13-6-8-14(9-7-13)23(26)27)17(15(11-21)12(2)22)16-5-4-10-29-16/h4-10,15,17-18H,2-3,22H2,1H3/p+1/t15-,17+,18-/m0/s1