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

Systemtic Name: 2-acetamidoethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-acetamidoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-acetamidoethyl ester Formula: C18H14ClF3N2O6 MolecularWeight: 446.76177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C18H14ClF3N2O6/c1-10(25)23-6-7-29-17(26)13-9-12(3-4-15(13)24(27)28)30-16-5-2-11(8-14(16)19)18(20,21)22/h2-5,8-9H,6-7H2,1H3,(H,23,25)