tert-butyl 2-[bis(azanyl)methylidene]-4,4-bis(fluoranyl)-3-methylidene-6-nitro-5-oxidanyl-nonanoate

Systemtic Name: tert-butyl 2-[bis(azanyl)methylidene]-4,4-bis(fluoranyl)-3-methylidene-6-nitro-5-oxidanyl-nonanoate Openeye Name: tert-butyl 2-(diaminomethylene)-4,4-difluoro-5-hydroxy-3-methylene-6-nitro-nonanoate CAS Name: 2-(diaminomethylidene)-4,4-difluoro-5-hydroxy-3-methylene-6-nitrononanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(diaminomethylidene)-4,4-difluoro-5-hydroxy-3-methylidene-6-nitrononanoate Traditional Name: 2-(diaminomethylene)-3-(1,1-difluoro-2-hydroxy-3-nitro-hexyl)but-3-enoic acid tert-butyl ester Formula: C15H25F2N3O5 MolecularWeight: 365.372906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C(=C)C(=C(N)N)C(=O)OC(C)(C)C)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(C(C(=C)C(=C(N)N)C(=O)OC(C)(C)C)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C15H25F2N3O5/c1-6-7-9(20(23)24)11(21)15(16,17)8(2)10(12(18)19)13(22)25-14(3,4)5/h9,11,21H,2,6-7,18-19H2,1,3-5H3