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

Systemtic Name: 2-dimethylaminoethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-dimethylaminoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-dimethylaminoethyl ester Formula: C18H16ClF3N2O5 MolecularWeight: 432.77825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF3N2O5/c1-23(2)7-8-28-17(25)13-10-12(4-5-15(13)24(26)27)29-16-6-3-11(9-14(16)19)18(20,21)22/h3-6,9-10H,7-8H2,1-2H3