ethyl (3R,4R)-4-ethanoyl-4-methyl-3-(nitromethyl)-7-oxidanylidene-heptanoate

Systemtic Name: ethyl (3R,4R)-4-ethanoyl-4-methyl-3-(nitromethyl)-7-oxidanylidene-heptanoate Openeye Name: ethyl (3R,4R)-4-acetyl-4-methyl-3-(nitromethyl)-7-oxo-heptanoate CAS Name: (3R,4R)-4-acetyl-4-methyl-3-(nitromethyl)-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl (3R,4R)-4-acetyl-4-methyl-3-(nitromethyl)-7-oxoheptanoate Traditional Name: (3R,4R)-4-acetyl-7-keto-4-methyl-3-(nitromethyl)enanthic acid ethyl ester Formula: C13H21NO6 MolecularWeight: 287.30894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C[C@@H](C[N+](=O)[O-])[C@@](C)(CCC=O)C(=O)C

InChI

InChI=1S/C13H21NO6/c1-4-20-12(17)8-11(9-14(18)19)13(3,10(2)16)6-5-7-15/h7,11H,4-6,8-9H2,1-3H3/t11-,13-/m0/s1