methyl (2S,3S)-3-methyl-6-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylate

Systemtic Name: methyl (2S,3S)-3-methyl-6-nitro-3-oxidanyl-2H-1-benzofuran-2-carboxylate Openeye Name: methyl (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-benzofuran-2-carboxylate CAS Name: (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-benzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-3-methyl-6-nitro-2H-1-benzofuran-2-carboxylate Traditional Name: (2S,3S)-3-hydroxy-3-methyl-6-nitro-coumaran-2-carboxylic acid methyl ester Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-11(14)7-4-3-6(12(15)16)5-8(7)18-9(11)10(13)17-2/h3-5,9,14H,1-2H3/t9-,11+/m1/s1