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

Systemtic Name: phenacyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: phenacyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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