ethyl (2S,3R)-3-acetyloxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylate

Systemtic Name: ethyl (2S,3R)-3-acetyloxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylate Openeye Name: ethyl (2S,3R)-3-acetoxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylate CAS Name: (2S,3R)-3-acetyloxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-acetyloxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylate Traditional Name: (2S,3R)-3-acetoxy-3-methyl-5-nitro-coumaran-2-carboxylic acid ethyl ester Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)OC(=O)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@](C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)OC(=O)C

InChI

InChI=1S/C14H15NO7/c1-4-20-13(17)12-14(3,22-8(2)16)10-7-9(15(18)19)5-6-11(10)21-12/h5-7,12H,4H2,1-3H3/t12-,14-/m1/s1