ethyl 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]ethanoate Openeye Name: ethyl 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]acetate CAS Name: 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]acetate Traditional Name: 2-[(3R,5S)-3,5-dimethyl-1-(nitromethyl)cyclohexyl]acetic acid ethyl ester Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC(CC(C1)C)C)C[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1(C[C@@H](C[C@@H](C1)C)C)C[N+](=O)[O-]

InChI

InChI=1S/C13H23NO4/c1-4-18-12(15)8-13(9-14(16)17)6-10(2)5-11(3)7-13/h10-11H,4-9H2,1-3H3/t10-,11+,13?