4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)-5-nitro-benzoic acid CAS Name: 4-fluoro-2-(4-iodo-2-methylanilino)-5-nitrobenzoic acid IUPAC Name: 4-fluoro-2-(4-iodo-2-methylanilino)-5-nitrobenzoic acid Traditional Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)-5-nitro-benzoic acid Formula: C14H10FIN2O4 MolecularWeight: 416.143073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C14H10FIN2O4/c1-7-4-8(16)2-3-11(7)17-12-6-10(15)13(18(21)22)5-9(12)14(19)20/h2-6,17H,1H3,(H,19,20)