2-nitro-5-[(2S)-octan-2-yl]oxy-benzoate

Systemtic Name: 2-nitro-5-[(2S)-octan-2-yl]oxy-benzoate Openeye Name: 5-[(1S)-1-methylheptoxy]-2-nitro-benzoate CAS Name: 2-nitro-5-[(2S)-octan-2-yl]oxybenzoate IUPAC Name: 2-nitro-5-[(2S)-octan-2-yl]oxybenzoate Traditional Name: 5-[(1S)-1-methylheptoxy]-2-nitro-benzoate Formula: C15H20NO5- MolecularWeight: 294.323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-4-5-6-7-11(2)21-12-8-9-14(16(19)20)13(10-12)15(17)18/h8-11H,3-7H2,1-2H3,(H,17,18)/p-1/t11-/m0/s1