(2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydro-1-benzofuran-5-one

Systemtic Name: (2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydro-1-benzofuran-5-one Openeye Name: (2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydrobenzofuran-5-one CAS Name: (2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydrobenzofuran-5-one IUPAC Name: (2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydro-1-benzofuran-5-one Traditional Name: (2R,7aS)-6-methoxy-4,7a-dimethyl-2-(nitromethyl)-2,3-dihydrobenzofuran-5-one Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(OC2(C=C(C1=O)OC)C)C[N+](=O)[O-]

Isomeric SMILES

CC1=C2C[C@@H](O[C@]2(C=C(C1=O)OC)C)C[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-7-9-4-8(6-13(15)16)18-12(9,2)5-10(17-3)11(7)14/h5,8H,4,6H2,1-3H3/t8-,12+/m1/s1