[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C18H15F2NO7 MolecularWeight: 395.311006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)OC

InChI

InChI=1S/C18H15F2NO7/c1-3-27-17-8-14(21(24)25)12(7-16(17)26-2)18(23)28-9-15(22)11-6-10(19)4-5-13(11)20/h4-8H,3,9H2,1-2H3