3-nitro-4-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxy-benzoic acid

Systemtic Name: 3-nitro-4-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxy-benzoic acid Openeye Name: 4-(3-hydroxy-1-methyl-3-oxo-propoxy)-3-nitro-benzoic acid CAS Name: 4-(4-hydroxy-4-oxobutan-2-yl)oxy-3-nitrobenzoic acid IUPAC Name: 4-(4-hydroxy-4-oxobutan-2-yl)oxy-3-nitrobenzoic acid Traditional Name: 4-(3-hydroxy-3-keto-1-methyl-propoxy)-3-nitro-benzoic acid Formula: C11H11NO7 MolecularWeight: 269.20754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)OC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO7/c1-6(4-10(13)14)19-9-3-2-7(11(15)16)5-8(9)12(17)18/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)