[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C19H17F2N3O5 MolecularWeight: 405.352186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C19H17F2N3O5/c20-14-4-3-5-15(21)18(14)22-17(25)11-29-19(26)13-10-12(24(27)28)6-7-16(13)23-8-1-2-9-23/h3-7,10H,1-2,8-9,11H2,(H,22,25)