2-[3-(4-nitrophenoxy)propyl]propanedioic acid

Systemtic Name: 2-[3-(4-nitrophenoxy)propyl]propanedioic acid Openeye Name: 2-[3-(4-nitrophenoxy)propyl]propanedioic acid CAS Name: 2-[3-(4-nitrophenoxy)propyl]propanedioic acid IUPAC Name: 2-[3-(4-nitrophenoxy)propyl]propanedioic acid Traditional Name: 2-[3-(4-nitrophenoxy)propyl]malonic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7/c14-11(15)10(12(16)17)2-1-7-20-9-5-3-8(4-6-9)13(18)19/h3-6,10H,1-2,7H2,(H,14,15)(H,16,17)