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

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C16H16F2N4O5 MolecularWeight: 382.318846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC=CN3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC=CN3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F2N4O5/c17-16(18)21-4-3-19-14(21)10-27-15(23)11-1-2-12(13(9-11)22(24)25)20-5-7-26-8-6-20/h1-4,9,16H,5-8,10H2