5-[(1R,2S)-2-ethylcyclohexyl]oxy-2-nitro-benzoate

Systemtic Name: 5-[(1R,2S)-2-ethylcyclohexyl]oxy-2-nitro-benzoate Openeye Name: 5-[(1R,2S)-2-ethylcyclohexoxy]-2-nitro-benzoate CAS Name: 5-[(1R,2S)-2-ethylcyclohexyl]oxy-2-nitrobenzoate IUPAC Name: 5-[(1R,2S)-2-ethylcyclohexyl]oxy-2-nitrobenzoate Traditional Name: 5-[(1R,2S)-2-ethylcyclohexoxy]-2-nitro-benzoate Formula: C15H18NO5- MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCC1OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[C@H]1OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19NO5/c1-2-10-5-3-4-6-14(10)21-11-7-8-13(16(19)20)12(9-11)15(17)18/h7-10,14H,2-6H2,1H3,(H,17,18)/p-1/t10-,14+/m0/s1