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

Systemtic Name: methyl 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butanoate Openeye Name: methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butanoate CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-nitrosobutanoic acid methyl ester IUPAC Name: methyl 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-3-nitrosobutanoate Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-3-nitroso-butyric acid methyl ester Formula: C18H14ClF3N2O6 MolecularWeight: 446.76177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClF3N2O6/c1-17(23-26,9-16(25)29-2)12-8-11(4-5-14(12)24(27)28)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,9H2,1-2H3