tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate Openeye Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-tetrahydropyran-2-yloxy-propyl]carbamate CAS Name: N-[3-(3,5-dinitro-1-pyrazolyl)-2-(2-oxanyloxy)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-(oxan-2-yloxy)propyl]carbamate Traditional Name: N-[3-(3,5-dinitropyrazol-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(=CC(=N1)[N+](=O)[O-])[N+](=O)[O-])OC2CCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CN1C(=CC(=N1)[N+](=O)[O-])[N+](=O)[O-])OC2CCCCO2

InChI

InChI=1S/C16H25N5O8/c1-16(2,3)29-15(22)17-9-11(28-14-6-4-5-7-27-14)10-19-13(21(25)26)8-12(18-19)20(23)24/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,22)