[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C16H16F2N4O4 MolecularWeight: 366.319446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC=CN3C(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC=CN3C(F)F

InChI

InChI=1S/C16H16F2N4O4/c17-16(18)21-8-5-19-14(21)10-26-15(23)12-9-11(22(24)25)3-4-13(12)20-6-1-2-7-20/h3-5,8-9,16H,1-2,6-7,10H2