[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C22H24FN3O5/c1-2-24(14-16-6-5-7-17(23)12-16)21(27)15-31-22(28)19-13-18(26(29)30)8-9-20(19)25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,14-15H2,1H3