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

Systemtic Name: ethyl (2S,3S)-3-methyl-5-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylate Openeye Name: ethyl (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-3-methyl-5-nitro-coumaran-2-carboxylic acid ethyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-3-18-11(14)10-12(2,15)8-6-7(13(16)17)4-5-9(8)19-10/h4-6,10,15H,3H2,1-2H3/t10-,12+/m1/s1