(2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one

Systemtic Name: (2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one Openeye Name: (2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one CAS Name: (2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one IUPAC Name: (2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one Traditional Name: (2S,3R)-6,6-dimethyl-2-nitro-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(O2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H]([C@H](O2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C16H17NO4/c1-16(2)8-11(18)14-12(9-16)21-15(17(19)20)13(14)10-6-4-3-5-7-10/h3-7,13,15H,8-9H2,1-2H3/t13-,15+/m1/s1