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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C19H16F2N2O6 MolecularWeight: 406.336946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H16F2N2O6/c20-15-3-1-12(9-16(15)21)18(24)11-29-19(25)14-10-13(23(26)27)2-4-17(14)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2