tert-butyl N-[3-(2,4-dinitroimidazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(2,4-dinitroimidazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate Openeye Name: tert-butyl N-[3-(2,4-dinitroimidazol-1-yl)-2-tetrahydropyran-2-yloxy-propyl]carbamate CAS Name: N-[3-(2,4-dinitro-1-imidazolyl)-2-(2-oxanyloxy)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2,4-dinitroimidazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate Traditional Name: N-[3-(2,4-dinitroimidazol-1-yl)-2-tetrahydropyran-2-yloxy-propyl]carbamic acid tert-butyl ester Formula: C16H25N5O8 MolecularWeight: 415.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC2CCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC2CCCCO2

InChI

InChI=1S/C16H25N5O8/c1-16(2,3)29-15(22)17-8-11(28-13-6-4-5-7-27-13)9-19-10-12(20(23)24)18-14(19)21(25)26/h10-11,13H,4-9H2,1-3H3,(H,17,22)