5-(3-ethoxypropoxy)-2-nitro-benzoic acid

Systemtic Name: 5-(3-ethoxypropoxy)-2-nitro-benzoic acid Openeye Name: 5-(3-ethoxypropoxy)-2-nitro-benzoic acid CAS Name: 5-(3-ethoxypropoxy)-2-nitrobenzoic acid IUPAC Name: 5-(3-ethoxypropoxy)-2-nitrobenzoic acid Traditional Name: 5-(3-ethoxypropoxy)-2-nitro-benzoic acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15NO6/c1-2-18-6-3-7-19-9-4-5-11(13(16)17)10(8-9)12(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)