2-(diethylcarbamoylamino)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-(diethylcarbamoylamino)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-(diethylcarbamoylamino)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[[diethylamino(oxo)methyl]amino]ethyl ester IUPAC Name: 2-(diethylcarbamoylamino)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(diethylcarbamoylamino)ethyl ester Formula: C21H21ClF3N3O6 MolecularWeight: 503.85615

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)NCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClF3N3O6/c1-3-27(4-2)20(30)26-9-10-33-19(29)15-12-14(6-7-17(15)28(31)32)34-18-8-5-13(11-16(18)22)21(23,24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,26,30)