(4-cyano-2-methoxy-phenyl) 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H19N3O5/c1-27-19-11-14(13-21)5-8-18(19)28-20(24)16-12-15(23(25)26)6-7-17(16)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3