4-[(1R,2S)-2-ethylcyclohexyl]oxy-3-nitro-benzoate

Systemtic Name: 4-[(1R,2S)-2-ethylcyclohexyl]oxy-3-nitro-benzoate Openeye Name: 4-[(1R,2S)-2-ethylcyclohexoxy]-3-nitro-benzoate CAS Name: 4-[(1R,2S)-2-ethylcyclohexyl]oxy-3-nitrobenzoate IUPAC Name: 4-[(1R,2S)-2-ethylcyclohexyl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R,2S)-2-ethylcyclohexoxy]-3-nitro-benzoate Formula: C15H18NO5- MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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