2-chloranyl-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-chloranyl-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propionic acid Formula: C16H17ClF3NO4 MolecularWeight: 379.75869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2[N+](=O)[O-])CC(C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2[N+](=O)[O-])CC(C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C16H17ClF3NO4/c17-12(15(22)23)7-9-6-11(16(18,19)20)14(13(8-9)21(24)25)10-4-2-1-3-5-10/h6,8,10,12H,1-5,7H2,(H,22,23)