3-cyclopropyl-7-[(4-iodanyl-2-methyl-phenyl)amino]benzimidazole-4,6-dicarboxylic acid

Systemtic Name: 3-cyclopropyl-7-[(4-iodanyl-2-methyl-phenyl)amino]benzimidazole-4,6-dicarboxylic acid Openeye Name: 3-cyclopropyl-7-(4-iodo-2-methyl-anilino)benzimidazole-4,6-dicarboxylic acid CAS Name: 3-cyclopropyl-7-(4-iodo-2-methylanilino)benzimidazole-4,6-dicarboxylic acid IUPAC Name: 3-cyclopropyl-7-(4-iodo-2-methylanilino)benzimidazole-4,6-dicarboxylic acid Traditional Name: 3-cyclopropyl-7-(4-iodo-2-methyl-anilino)benzimidazole-4,6-dicarboxylic acid Formula: C19H16IN3O4 MolecularWeight: 477.25251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=C(C3=C2N=CN3C4CC4)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(C3=C2N=CN3C4CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16IN3O4/c1-9-6-10(20)2-5-14(9)22-15-12(18(24)25)7-13(19(26)27)17-16(15)21-8-23(17)11-3-4-11/h2,5-8,11,22H,3-4H2,1H3,(H,24,25)(H,26,27)