[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5/c22-17-6-2-1-5-15(17)9-10-23-20(26)14-30-21(27)16-7-8-18(19(13-16)25(28)29)24-11-3-4-12-24/h1-2,5-8,13H,3-4,9-12,14H2,(H,23,26)