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

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C20H18F2N4O4 MolecularWeight: 416.378126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F2N4O4/c21-20(22)25-15-6-2-1-5-14(15)23-18(25)12-30-19(27)13-7-8-16(17(11-13)26(28)29)24-9-3-4-10-24/h1-2,5-8,11,20H,3-4,9-10,12H2