[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C20H18F2N2O5 MolecularWeight: 404.364126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O5/c21-15-6-4-13(10-16(15)22)19(25)12-29-20(26)14-5-7-17(18(11-14)24(27)28)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2