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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN2O5/c23-18-9-6-16(7-10-18)21(26)5-4-14-30-22(27)17-8-11-19(20(15-17)25(28)29)24-12-2-1-3-13-24/h6-11,15H,1-5,12-14H2