3-[[1-diethoxyphosphoryl-2,2,2-tris(fluoranyl)ethyl]amino]-5-nitro-indol-2-one

Systemtic Name: 3-[[1-diethoxyphosphoryl-2,2,2-tris(fluoranyl)ethyl]amino]-5-nitro-indol-2-one Openeye Name: 3-[(1-diethoxyphosphoryl-2,2,2-trifluoro-ethyl)amino]-5-nitro-indol-2-one CAS Name: 3-[(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)amino]-5-nitro-2-indolone IUPAC Name: 3-[(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)amino]-5-nitroindol-2-one Traditional Name: 3-[(1-diethoxyphosphoryl-2,2,2-trifluoro-ethyl)amino]-5-nitro-indol-2-one Formula: C14H15F3N3O6P MolecularWeight: 409.254371

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(F)(F)F)NC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C(F)(F)F)NC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-])OCC

InChI

InChI=1S/C14H15F3N3O6P/c1-3-25-27(24,26-4-2)13(14(15,16)17)19-11-9-7-8(20(22)23)5-6-10(9)18-12(11)21/h5-7,13H,3-4H2,1-2H3,(H,18,19,21)