3-methyl-6-nitro-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)benzoic acid

Systemtic Name: 3-methyl-6-nitro-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)benzoic acid Openeye Name: 2-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-methyl-6-nitro-benzoic acid CAS Name: 2-(1-hydroxy-1-oxopropan-2-yl)-3-methyl-6-nitrobenzoic acid IUPAC Name: 2-(1-hydroxy-1-oxopropan-2-yl)-3-methyl-6-nitrobenzoic acid Traditional Name: 2-(2-hydroxy-2-keto-1-methyl-ethyl)-3-methyl-6-nitro-benzoic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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