ethyl (2S,6S)-2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]heptanoate

Systemtic Name: ethyl (2S,6S)-2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]heptanoate Openeye Name: ethyl (2S,6S)-2-cyano-2-[(E)-1-ethylprop-1-enyl]-6-nitro-heptanoate CAS Name: (2S,6S)-2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]heptanoic acid ethyl ester IUPAC Name: ethyl (2S,6S)-2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]heptanoate Traditional Name: (E,2S)-2-cyano-3-ethyl-2-[(4S)-4-nitropentyl]pent-3-enoic acid ethyl ester Formula: C15H24N2O4 MolecularWeight: 296.36206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O4/c1-5-13(6-2)15(11-16,14(18)21-7-3)10-8-9-12(4)17(19)20/h5,12H,6-10H2,1-4H3/b13-5+/t12-,15+/m0/s1