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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=C(C=CC(=C2)OCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COC(O1)C2=C(C=CC(=C2)OCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO7/c15-12(16)2-1-5-19-9-3-4-11(14(17)18)10(8-9)13-20-6-7-21-13/h3-4,8,13H,1-2,5-7H2,(H,15,16)