3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 3,4-difluoro-2-(2-fluoro-4-iodo-anilino)-5-nitro-benzoic acid CAS Name: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-nitrobenzoic acid IUPAC Name: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-nitrobenzoic acid Traditional Name: 3,4-difluoro-2-(2-fluoro-4-iodo-anilino)-5-nitro-benzoic acid Formula: C13H6F3IN2O4 MolecularWeight: 438.09742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)F)NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])F)F

Isomeric SMILES

C1=CC(=C(C=C1I)F)NC2=C(C(=C(C=C2C(=O)O)[N+](=O)[O-])F)F

InChI

InChI=1S/C13H6F3IN2O4/c14-7-3-5(17)1-2-8(7)18-12-6(13(20)21)4-9(19(22)23)10(15)11(12)16/h1-4,18H,(H,20,21)