[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C20H18F2N4O5 MolecularWeight: 432.377526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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