3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]but-3-en-2-one

Systemtic Name: 3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]but-3-en-2-one Openeye Name: 3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]but-3-en-2-one CAS Name: 3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]-3-buten-2-one IUPAC Name: 3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]but-3-en-2-one Traditional Name: 3-ethoxy-1-[(1S,2R)-2-nitrocyclohexyl]but-3-en-2-one Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C)C(=O)CC1CCCCC1[N+](=O)[O-]

Isomeric SMILES

CCOC(=C)C(=O)C[C@@H]1CCCC[C@H]1[N+](=O)[O-]

InChI

InChI=1S/C12H19NO4/c1-3-17-9(2)12(14)8-10-6-4-5-7-11(10)13(15)16/h10-11H,2-8H2,1H3/t10-,11+/m0/s1