[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5/c22-17-8-5-15(6-9-17)20(25)4-3-13-29-21(26)16-7-10-18(19(14-16)24(27)28)23-11-1-2-12-23/h5-10,14H,1-4,11-13H2