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

Systemtic Name: 3-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-nitro-4-(prop-2-enylamino)benzoic acid Openeye Name: 4-(allylamino)-3-fluoro-2-(2-fluoro-4-iodo-anilino)-5-nitro-benzoic acid CAS Name: 3-fluoro-2-(2-fluoro-4-iodoanilino)-5-nitro-4-(prop-2-enylamino)benzoic acid IUPAC Name: 3-fluoro-2-(2-fluoro-4-iodoanilino)-5-nitro-4-(prop-2-enylamino)benzoic acid Traditional Name: 4-(allylamino)-3-fluoro-2-(2-fluoro-4-iodo-anilino)-5-nitro-benzoic acid Formula: C16H12F2IN3O4 MolecularWeight: 475.185456

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=C(C(=C1F)NC2=C(C=C(C=C2)I)F)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=C(C(=C1F)NC2=C(C=C(C=C2)I)F)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12F2IN3O4/c1-2-5-20-15-12(22(25)26)7-9(16(23)24)14(13(15)18)21-11-4-3-8(19)6-10(11)17/h2-4,6-7,20-21H,1,5H2,(H,23,24)