2-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]-6-nitro-benzimidazol-1-yl]oxyethanoic acid

Systemtic Name: 2-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]-6-nitro-benzimidazol-1-yl]oxyethanoic acid Openeye Name: 2-[2-[4-[(4-fluorobenzoyl)amino]phenyl]-6-nitro-benzimidazol-1-yl]oxyacetic acid CAS Name: 2-[[2-[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]-6-nitro-1-benzimidazolyl]oxy]acetic acid IUPAC Name: 2-[2-[4-[(4-fluorobenzoyl)amino]phenyl]-6-nitrobenzimidazol-1-yl]oxyacetic acid Traditional Name: 2-[2-[4-[(4-fluorobenzoyl)amino]phenyl]-6-nitro-benzimidazol-1-yl]oxyacetic acid Formula: C22H15FN4O6 MolecularWeight: 450.376103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2OCC(=O)O)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2OCC(=O)O)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H15FN4O6/c23-15-5-1-14(2-6-15)22(30)24-16-7-3-13(4-8-16)21-25-18-10-9-17(27(31)32)11-19(18)26(21)33-12-20(28)29/h1-11H,12H2,(H,24,30)(H,28,29)