ethyl (2S,3S,4R)-5-azanyl-4-cyano-3-(furan-2-yl)-2-(4-nitrophenyl)carbonyl-hex-5-enoate

Systemtic Name: ethyl (2S,3S,4R)-5-azanyl-4-cyano-3-(furan-2-yl)-2-(4-nitrophenyl)carbonyl-hex-5-enoate Openeye Name: ethyl (2S,3S,4R)-5-amino-4-cyano-3-(2-furyl)-2-(4-nitrobenzoyl)hex-5-enoate CAS Name: (2S,3S,4R)-5-amino-4-cyano-3-(2-furanyl)-2-[(4-nitrophenyl)-oxomethyl]-5-hexenoic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-5-amino-4-cyano-3-(furan-2-yl)-2-(4-nitrobenzoyl)hex-5-enoate Traditional Name: (2S,3S,4R)-5-amino-4-cyano-3-(2-furyl)-2-(4-nitrobenzoyl)hex-5-enoic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CO1)C(C#N)C(=C)N)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)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/h4-10,15,17-18H,2-3,22H2,1H3/t15-,17+,18-/m0/s1