2-[(1S,3S)-3-methylcyclohexyl]oxy-5-nitro-benzoate

Systemtic Name: 2-[(1S,3S)-3-methylcyclohexyl]oxy-5-nitro-benzoate Openeye Name: 2-[(1S,3S)-3-methylcyclohexoxy]-5-nitro-benzoate CAS Name: 2-[(1S,3S)-3-methylcyclohexyl]oxy-5-nitrobenzoate IUPAC Name: 2-[(1S,3S)-3-methylcyclohexyl]oxy-5-nitrobenzoate Traditional Name: 2-[(1S,3S)-3-methylcyclohexoxy]-5-nitro-benzoate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-9-3-2-4-11(7-9)20-13-6-5-10(15(18)19)8-12(13)14(16)17/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)/p-1/t9-,11-/m0/s1