methyl 4,4,4-tris(fluoranyl)-3-[(2-iodanyl-4-nitro-phenyl)amino]butanoate

Systemtic Name: methyl 4,4,4-tris(fluoranyl)-3-[(2-iodanyl-4-nitro-phenyl)amino]butanoate Openeye Name: methyl 4,4,4-trifluoro-3-(2-iodo-4-nitro-anilino)butanoate CAS Name: 4,4,4-trifluoro-3-(2-iodo-4-nitroanilino)butanoic acid methyl ester IUPAC Name: methyl 4,4,4-trifluoro-3-(2-iodo-4-nitroanilino)butanoate Traditional Name: 4,4,4-trifluoro-3-(2-iodo-4-nitro-anilino)butyric acid methyl ester Formula: C11H10F3IN2O4 MolecularWeight: 418.10778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(F)(F)F)NC1=C(C=C(C=C1)[N+](=O)[O-])I

Isomeric SMILES

COC(=O)CC(C(F)(F)F)NC1=C(C=C(C=C1)[N+](=O)[O-])I

InChI

InChI=1S/C11H10F3IN2O4/c1-21-10(18)5-9(11(12,13)14)16-8-3-2-6(17(19)20)4-7(8)15/h2-4,9,16H,5H2,1H3