4-(2-butoxyethoxy)-3-nitro-benzoate

Systemtic Name: 4-(2-butoxyethoxy)-3-nitro-benzoate Openeye Name: 4-(2-butoxyethoxy)-3-nitro-benzoate CAS Name: 4-(2-butoxyethoxy)-3-nitrobenzoate IUPAC Name: 4-(2-butoxyethoxy)-3-nitrobenzoate Traditional Name: 4-(2-butoxyethoxy)-3-nitro-benzoate Formula: C13H16NO6- MolecularWeight: 282.26924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOCCOC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6/c1-2-3-6-19-7-8-20-12-5-4-10(13(15)16)9-11(12)14(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)/p-1