methyl 3-methyl-3-(nitromethyl)-4-oxidanylidene-nonanoate

Systemtic Name: methyl 3-methyl-3-(nitromethyl)-4-oxidanylidene-nonanoate Openeye Name: methyl 3-methyl-3-(nitromethyl)-4-oxo-nonanoate CAS Name: 3-methyl-3-(nitromethyl)-4-oxononanoic acid methyl ester IUPAC Name: methyl 3-methyl-3-(nitromethyl)-4-oxononanoate Traditional Name: 4-keto-3-methyl-3-(nitromethyl)pelargonic acid methyl ester Formula: C12H21NO5 MolecularWeight: 259.29884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)C(C)(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C12H21NO5/c1-4-5-6-7-10(14)12(2,9-13(16)17)8-11(15)18-3/h4-9H2,1-3H3