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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C20H21FN2O5/c1-27-19-8-5-14(11-16(19)21)13-28-20(24)15-6-7-17(18(12-15)23(25)26)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10,13H2,1H3