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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC=CO1)/C(=C(\C)/[NH3+])/C#N)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/h4-10,17-18H,3,22H2,1-2H3/p+1/b15-12+/t17-,18-/m1/s1