[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O5/c1-15-8-10-25(11-9-15)20-7-6-18(26(29)30)12-19(20)22(28)31-14-21(27)24-13-16-2-4-17(23)5-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,27)