ethyl 2-cyano-2-methyl-3-(nitromethyl)octanoate

Systemtic Name: ethyl 2-cyano-2-methyl-3-(nitromethyl)octanoate Openeye Name: ethyl 2-cyano-2-methyl-3-(nitromethyl)octanoate CAS Name: 2-cyano-2-methyl-3-(nitromethyl)octanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-methyl-3-(nitromethyl)octanoate Traditional Name: 2-cyano-2-methyl-3-(nitromethyl)caprylic acid ethyl ester Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4/c1-4-6-7-8-11(9-15(17)18)13(3,10-14)12(16)19-5-2/h11H,4-9H2,1-3H3