3-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-4-nitro-benzoic acid

Systemtic Name: 3-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-4-nitro-benzoic acid Openeye Name: 3-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-4-nitro-benzoic acid CAS Name: 3-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-4-nitrobenzoic acid IUPAC Name: 3-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-4-nitrobenzoic acid Traditional Name: 3-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-4-nitro-benzoic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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