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

Systemtic Name: 4-azanyl-2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-benzoic acid Openeye Name: 4-amino-2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-benzoic acid CAS Name: 4-amino-2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitrobenzoic acid IUPAC Name: 4-amino-2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitrobenzoic acid Traditional Name: 4-amino-2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-benzoic acid Formula: C13H8ClFIN3O4 MolecularWeight: 451.576193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClFIN3O4/c14-7-3-5(16)1-2-8(7)18-12-6(13(20)21)4-9(19(22)23)11(17)10(12)15/h1-4,18H,17H2,(H,20,21)