ethyl 2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]hexanoate

Systemtic Name: ethyl 2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]hexanoate Openeye Name: ethyl 2-cyano-2-[(E)-1-ethylprop-1-enyl]-6-nitro-hexanoate CAS Name: 2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-6-nitro-2-[(E)-pent-2-en-3-yl]hexanoate Traditional Name: (E)-2-cyano-3-ethyl-2-(4-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(CCCC[N+](=O)[O-])(C#N)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4/c1-4-12(5-2)14(11-15,13(17)20-6-3)9-7-8-10-16(18)19/h4H,5-10H2,1-3H3/b12-4+