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

Systemtic Name: 4-[(1R,2S)-2-methylcyclohexyl]oxy-3-nitro-benzoate Openeye Name: 4-[(1R,2S)-2-methylcyclohexoxy]-3-nitro-benzoate CAS Name: 4-[(1R,2S)-2-methylcyclohexyl]oxy-3-nitrobenzoate IUPAC Name: 4-[(1R,2S)-2-methylcyclohexyl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R,2S)-2-methylcyclohexoxy]-3-nitro-benzoate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9-4-2-3-5-12(9)20-13-7-6-10(14(16)17)8-11(13)15(18)19/h6-9,12H,2-5H2,1H3,(H,16,17)/p-1/t9-,12+/m0/s1