[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H24FN3O5 MolecularWeight: 429.441463

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

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