6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-(2-carboxyethyl)-7-fluoranyl-benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-(2-carboxyethyl)-7-fluoranyl-benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-3-(2-carboxyethyl)-7-fluoro-benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-chloroanilino)-3-(2-carboxyethyl)-7-fluoro-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-3-(2-carboxyethyl)-7-fluorobenzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-3-(2-carboxyethyl)-7-fluoro-benzimidazole-5-carboxylic acid Formula: C17H12BrClFN3O4 MolecularWeight: 456.650283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCC(=O)O)F

InChI

InChI=1S/C17H12BrClFN3O4/c18-8-1-2-11(10(19)5-8)22-15-9(17(26)27)6-12-16(14(15)20)21-7-23(12)4-3-13(24)25/h1-2,5-7,22H,3-4H2,(H,24,25)(H,26,27)