4-[5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]-2-nitro-phenoxy]butane-1,2-diol

Systemtic Name: 4-[5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]-2-nitro-phenoxy]butane-1,2-diol Openeye Name: 4-[5-fluoro-3-(2-fluoro-4-iodo-anilino)-2-nitro-phenoxy]butane-1,2-diol CAS Name: 4-[5-fluoro-3-(2-fluoro-4-iodoanilino)-2-nitrophenoxy]butane-1,2-diol IUPAC Name: 4-[5-fluoro-3-(2-fluoro-4-iodoanilino)-2-nitrophenoxy]butane-1,2-diol Traditional Name: 4-[5-fluoro-3-(2-fluoro-4-iodo-anilino)-2-nitro-phenoxy]butane-1,2-diol Formula: C16H15F2IN2O5 MolecularWeight: 480.201976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)F)NC2=CC(=CC(=C2[N+](=O)[O-])OCCC(CO)O)F

Isomeric SMILES

C1=CC(=C(C=C1I)F)NC2=CC(=CC(=C2[N+](=O)[O-])OCCC(CO)O)F

InChI

InChI=1S/C16H15F2IN2O5/c17-9-5-14(20-13-2-1-10(19)7-12(13)18)16(21(24)25)15(6-9)26-4-3-11(23)8-22/h1-2,5-7,11,20,22-23H,3-4,8H2