[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3,4-difluoroanilino)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(3,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluoroanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(3,4-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=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=C(C=C3)F)F

InChI

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