3-methyl-5-nitro-2-(2-oxidanylideneoxolan-3-yl)oxy-benzoic acid

Systemtic Name: 3-methyl-5-nitro-2-(2-oxidanylideneoxolan-3-yl)oxy-benzoic acid Openeye Name: 3-methyl-5-nitro-2-(2-oxotetrahydrofuran-3-yl)oxy-benzoic acid CAS Name: 3-methyl-5-nitro-2-[(2-oxo-3-oxolanyl)oxy]benzoic acid IUPAC Name: 3-methyl-5-nitro-2-(2-oxooxolan-3-yl)oxybenzoic acid Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)oxy-3-methyl-5-nitro-benzoic acid Formula: C12H11NO7 MolecularWeight: 281.21824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)OC2CCOC2=O

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)OC2CCOC2=O

InChI

InChI=1S/C12H11NO7/c1-6-4-7(13(17)18)5-8(11(14)15)10(6)20-9-2-3-19-12(9)16/h4-5,9H,2-3H2,1H3,(H,14,15)