2-[4,5-dinitro-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenoxy]propanoic acid

Systemtic Name: 2-[4,5-dinitro-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenoxy]propanoic acid Openeye Name: 2-[2-(2-hydroxy-1-methyl-2-oxo-ethoxy)-4,5-dinitro-phenoxy]propanoic acid CAS Name: 2-[2-(1-hydroxy-1-oxopropan-2-yl)oxy-4,5-dinitrophenoxy]propanoic acid IUPAC Name: 2-[2-(1-hydroxy-1-oxopropan-2-yl)oxy-4,5-dinitrophenoxy]propanoic acid Traditional Name: 2-[2-(2-hydroxy-2-keto-1-methyl-ethoxy)-4,5-dinitro-phenoxy]propionic acid Formula: C12H12N2O10 MolecularWeight: 344.23108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O10/c1-5(11(15)16)23-9-3-7(13(19)20)8(14(21)22)4-10(9)24-6(2)12(17)18/h3-6H,1-2H3,(H,15,16)(H,17,18)