ethyl 3-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-fluoro-2-(trifluoromethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H14F4N2O5 MolecularWeight: 414.307773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14F4N2O5/c1-2-29-17(26)12-5-11(6-14(7-12)24(27)28)16(25)23-9-10-3-4-13(19)8-15(10)18(20,21)22/h3-8H,2,9H2,1H3,(H,23,25)