phenyl 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: phenyl 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: phenyl 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid phenyl ester IUPAC Name: phenyl 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid phenyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4/c21-18(24-15-7-3-1-4-8-15)16-13-14(20(22)23)9-10-17(16)19-11-5-2-6-12-19/h1,3-4,7-10,13H,2,5-6,11-12H2