3-nitro-4-(2-propan-2-yloxyethoxy)benzoate

Systemtic Name: 3-nitro-4-(2-propan-2-yloxyethoxy)benzoate Openeye Name: 4-(2-isopropoxyethoxy)-3-nitro-benzoate CAS Name: 3-nitro-4-(2-propan-2-yloxyethoxy)benzoate IUPAC Name: 3-nitro-4-(2-propan-2-yloxyethoxy)benzoate Traditional Name: 4-(2-isopropoxyethoxy)-3-nitro-benzoate Formula: C12H14NO6- MolecularWeight: 268.24266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCOC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCOC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15NO6/c1-8(2)18-5-6-19-11-4-3-9(12(14)15)7-10(11)13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)/p-1