methyl 3-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]butanoate

Systemtic Name: methyl 3-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]butanoate Openeye Name: methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]butanoate CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]butanoic acid methyl ester IUPAC Name: methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]butanoate Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]butyric acid methyl ester Formula: C18H16ClF3N2O5 MolecularWeight: 432.77825

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

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