ethyl (2R,3R,4S)-5-azanylidene-4-cyano-3-(furan-2-yl)-2-(4-nitrophenyl)carbonyl-hexanoate

Systemtic Name: ethyl (2R,3R,4S)-5-azanylidene-4-cyano-3-(furan-2-yl)-2-(4-nitrophenyl)carbonyl-hexanoate Openeye Name: ethyl (2R,3R,4S)-4-cyano-3-(2-furyl)-5-imino-2-(4-nitrobenzoyl)hexanoate CAS Name: (2R,3R,4S)-4-cyano-3-(2-furanyl)-5-imino-2-[(4-nitrophenyl)-oxomethyl]hexanoic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-cyano-3-(furan-2-yl)-5-imino-2-(4-nitrobenzoyl)hexanoate Traditional Name: (2R,3R,4S)-4-cyano-3-(2-furyl)-5-imino-2-(4-nitrobenzoyl)hexanoic 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(=N)C)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(=N)C)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/h4-10,15,17-18,22H,3H2,1-2H3/t15-,17+,18-/m1/s1