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

Systemtic Name: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-4-[(4-methylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-4-(4-methylanilino)-5-nitro-benzoic acid CAS Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-4-(4-methylanilino)-5-nitrobenzoic acid IUPAC Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-4-(4-methylanilino)-5-nitrobenzoic acid Traditional Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-4-(p-toluidino)benzoic acid Formula: C20H14ClFIN3O4 MolecularWeight: 541.698733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClFIN3O4/c1-10-2-5-12(6-3-10)24-19-16(26(29)30)9-13(20(27)28)18(17(19)22)25-15-7-4-11(23)8-14(15)21/h2-9,24-25H,1H3,(H,27,28)