(2S,3R)-3-methyl-5-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylic acid

Systemtic Name: (2S,3R)-3-methyl-5-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylic acid Openeye Name: (2S,3R)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylic acid CAS Name: (2S,3R)-3-hydroxy-3-methyl-5-nitro-2H-benzofuran-2-carboxylic acid IUPAC Name: (2S,3R)-3-hydroxy-3-methyl-5-nitro-2H-1-benzofuran-2-carboxylic acid Traditional Name: (2S,3R)-3-hydroxy-3-methyl-5-nitro-coumaran-2-carboxylic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

C[C@@]1([C@H](OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C10H9NO6/c1-10(14)6-4-5(11(15)16)2-3-7(6)17-8(10)9(12)13/h2-4,8,14H,1H3,(H,12,13)/t8-,10-/m1/s1