(2-chloranyl-6-fluoranyl-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H16ClFN2O4 MolecularWeight: 378.782043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClFN2O4/c19-14-4-3-5-15(20)13(14)11-26-18(23)12-6-7-16(17(10-12)22(24)25)21-8-1-2-9-21/h3-7,10H,1-2,8-9,11H2