ethyl 2-chloranyl-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoate

Systemtic Name: ethyl 2-chloranyl-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoate Openeye Name: ethyl 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoate CAS Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propanoate Traditional Name: 2-chloro-3-[4-cyclohexyl-3-nitro-5-(trifluoromethyl)phenyl]propionic acid ethyl ester Formula: C18H21ClF3NO4 MolecularWeight: 407.81185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)[N+](=O)[O-])C2CCCCC2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)[N+](=O)[O-])C2CCCCC2)C(F)(F)F)Cl

InChI

InChI=1S/C18H21ClF3NO4/c1-2-27-17(24)14(19)9-11-8-13(18(20,21)22)16(15(10-11)23(25)26)12-6-4-3-5-7-12/h8,10,12,14H,2-7,9H2,1H3