methyl 3-[3-bromanyl-5-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate

Systemtic Name: methyl 3-[3-bromanyl-5-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate Openeye Name: methyl 3-[3-bromo-5-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate CAS Name: 3-[3-bromo-5-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-bromo-5-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoate Traditional Name: 3-[3-bromo-5-nitro-4-[4-(trifluoromethyl)benzyl]oxy-phenyl]propionic acid methyl ester Formula: C18H15BrF3NO5 MolecularWeight: 462.21461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrF3NO5/c1-27-16(24)7-4-12-8-14(19)17(15(9-12)23(25)26)28-10-11-2-5-13(6-3-11)18(20,21)22/h2-3,5-6,8-9H,4,7,10H2,1H3