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

Systemtic Name: 2-(methylamino)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-(methylamino)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(methylamino)ethyl ester IUPAC Name: 2-(methylamino)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(methylamino)ethyl ester Formula: C17H14ClF3N2O5 MolecularWeight: 418.75167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClF3N2O5/c1-22-6-7-27-16(24)12-9-11(3-4-14(12)23(25)26)28-15-5-2-10(8-13(15)18)17(19,20)21/h2-5,8-9,22H,6-7H2,1H3