2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxidanylidene-1,3-dioxolan-4-yl]ethanoic acid

Systemtic Name: 2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxidanylidene-1,3-dioxolan-4-yl]ethanoic acid Openeye Name: 2-[2-tert-butyl-4-(1-methyl-2-nitro-ethyl)-5-oxo-1,3-dioxolan-4-yl]acetic acid CAS Name: 2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxo-1,3-dioxolan-4-yl]acetic acid IUPAC Name: 2-[2-tert-butyl-4-(1-nitropropan-2-yl)-5-oxo-1,3-dioxolan-4-yl]acetic acid Traditional Name: 2-[2-tert-butyl-5-keto-4-(1-methyl-2-nitro-ethyl)-1,3-dioxolan-4-yl]acetic acid Formula: C12H19NO7 MolecularWeight: 289.28176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](=O)[O-])C1(C(=O)OC(O1)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC(C[N+](=O)[O-])C1(C(=O)OC(O1)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C12H19NO7/c1-7(6-13(17)18)12(5-8(14)15)9(16)19-10(20-12)11(2,3)4/h7,10H,5-6H2,1-4H3,(H,14,15)