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

Systemtic Name: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-5-nitro-4-phenylazanyl-benzoic acid Openeye Name: 4-anilino-2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-benzoic acid CAS Name: 4-anilino-2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitrobenzoic acid IUPAC Name: 4-anilino-2-(2-chloro-4-iodoanilino)-3-fluoro-5-nitrobenzoic acid Traditional Name: 4-anilino-2-(2-chloro-4-iodo-anilino)-3-fluoro-5-nitro-benzoic acid Formula: C19H12ClFIN3O4 MolecularWeight: 527.672153

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C19H12ClFIN3O4/c20-13-8-10(22)6-7-14(13)24-17-12(19(26)27)9-15(25(28)29)18(16(17)21)23-11-4-2-1-3-5-11/h1-9,23-24H,(H,26,27)