4-[(2S)-2-ethylhexoxy]-3-nitro-benzoate

Systemtic Name: 4-[(2S)-2-ethylhexoxy]-3-nitro-benzoate Openeye Name: 4-[(2S)-2-ethylhexoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-2-ethylhexoxy]-3-nitrobenzoate IUPAC Name: 4-[(2S)-2-ethylhexoxy]-3-nitrobenzoate Traditional Name: 4-[(2S)-2-ethylhexoxy]-3-nitro-benzoate Formula: C15H20NO5- MolecularWeight: 294.323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)COC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-5-6-11(4-2)10-21-14-8-7-12(15(17)18)9-13(14)16(19)20/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)/p-1/t11-/m0/s1