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

Systemtic Name: methyl 3-methyl-3-(nitromethyl)-4-oxidanylidene-hexanoate Openeye Name: methyl 3-methyl-3-(nitromethyl)-4-oxo-hexanoate CAS Name: 3-methyl-3-(nitromethyl)-4-oxohexanoic acid methyl ester IUPAC Name: methyl 3-methyl-3-(nitromethyl)-4-oxohexanoate Traditional Name: 4-keto-3-methyl-3-(nitromethyl)hexanoic acid methyl ester Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO5/c1-4-7(11)9(2,6-10(13)14)5-8(12)15-3/h4-6H2,1-3H3