[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C20H18F2N4O5 MolecularWeight: 432.377526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F2N4O5/c21-20(22)25-15-4-2-1-3-14(15)23-18(25)12-31-19(27)13-5-6-16(17(11-13)26(28)29)24-7-9-30-10-8-24/h1-6,11,20H,7-10,12H2