phenacyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: phenacyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: phenacyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid phenacyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O5/c22-18(14-6-2-1-3-7-14)13-26-19(23)16-12-15(21(24)25)8-9-17(16)20-10-4-5-11-20/h1-3,6-9,12H,4-5,10-11,13H2