phenacyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: phenacyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: phenacyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid phenacyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c23-19(15-7-3-1-4-8-15)14-27-20(24)16-9-10-17(18(13-16)22(25)26)21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14H2