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

Systemtic Name: 5-azanyl-3-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-4-(prop-2-enylamino)benzoic acid Openeye Name: 4-(allylamino)-5-amino-3-fluoro-2-(2-fluoro-4-iodo-anilino)benzoic acid CAS Name: 5-amino-3-fluoro-2-(2-fluoro-4-iodoanilino)-4-(prop-2-enylamino)benzoic acid IUPAC Name: 5-amino-3-fluoro-2-(2-fluoro-4-iodoanilino)-4-(prop-2-enylamino)benzoic acid Traditional Name: 4-(allylamino)-5-amino-3-fluoro-2-(2-fluoro-4-iodo-anilino)benzoic acid Formula: C16H14F2IN3O2 MolecularWeight: 445.202536

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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

Isomeric SMILES

C=CCNC1=C(C=C(C(=C1F)NC2=C(C=C(C=C2)I)F)C(=O)O)N

InChI

InChI=1S/C16H14F2IN3O2/c1-2-5-21-15-11(20)7-9(16(23)24)14(13(15)18)22-12-4-3-8(19)6-10(12)17/h2-4,6-7,21-22H,1,5,20H2,(H,23,24)