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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C19H16F2N2O5 MolecularWeight: 390.337546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F2N2O5/c20-14-5-3-12(9-15(14)21)18(24)11-28-19(25)13-4-6-16(17(10-13)23(26)27)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2