2-[4-(1,3-dioxolan-2-yl)-2-nitro-phenoxy]butanoic acid

Systemtic Name: 2-[4-(1,3-dioxolan-2-yl)-2-nitro-phenoxy]butanoic acid Openeye Name: 2-[4-(1,3-dioxolan-2-yl)-2-nitro-phenoxy]butanoic acid CAS Name: 2-[4-(1,3-dioxolan-2-yl)-2-nitrophenoxy]butanoic acid IUPAC Name: 2-[4-(1,3-dioxolan-2-yl)-2-nitrophenoxy]butanoic acid Traditional Name: 2-[4-(1,3-dioxolan-2-yl)-2-nitro-phenoxy]butyric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C=C1)C2OCCO2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C=C1)C2OCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO7/c1-2-10(12(15)16)21-11-4-3-8(7-9(11)14(17)18)13-19-5-6-20-13/h3-4,7,10,13H,2,5-6H2,1H3,(H,15,16)