ethyl (2S,5S)-2-cyano-5-nitro-2-[(E)-pent-2-en-3-yl]hexanoate

Systemtic Name: ethyl (2S,5S)-2-cyano-5-nitro-2-[(E)-pent-2-en-3-yl]hexanoate Openeye Name: ethyl (2S,5S)-2-cyano-2-[(E)-1-ethylprop-1-enyl]-5-nitro-hexanoate CAS Name: (2S,5S)-2-cyano-5-nitro-2-[(E)-pent-2-en-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl (2S,5S)-2-cyano-5-nitro-2-[(E)-pent-2-en-3-yl]hexanoate Traditional Name: (E,2S)-2-cyano-3-ethyl-2-[(3S)-3-nitrobutyl]pent-3-enoic acid ethyl ester Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(CCC(C)[N+](=O)[O-])(C#N)C(=O)OCC

Isomeric SMILES

CC/C(=C\C)/[C@@](CC[C@H](C)[N+](=O)[O-])(C#N)C(=O)OCC

InChI

InChI=1S/C14H22N2O4/c1-5-12(6-2)14(10-15,13(17)20-7-3)9-8-11(4)16(18)19/h5,11H,6-9H2,1-4H3/b12-5+/t11-,14+/m0/s1