(3-fluoranyl-4-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C19H19FN2O5 MolecularWeight: 374.362963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C19H19FN2O5/c1-26-18-7-4-13(10-15(18)20)12-27-19(23)14-5-6-16(17(11-14)22(24)25)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3