methyl 5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethylamino]benzoate Openeye Name: methyl 5-nitro-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]benzoate CAS Name: 5-nitro-2-[2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]benzoate Traditional Name: 5-nitro-2-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylamino]benzoic acid methyl ester Formula: C18H16F3N3O5 MolecularWeight: 411.33195

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCNC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCNC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O5/c1-29-17(26)14-10-13(24(27)28)6-7-15(14)22-8-9-23-16(25)11-2-4-12(5-3-11)18(19,20)21/h2-7,10,22H,8-9H2,1H3,(H,23,25)