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

Systemtic Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-oxidanyl-propyl]carbamate Openeye Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-hydroxy-propyl]carbamate CAS Name: N-[3-(3,5-dinitro-1-pyrazolyl)-2-hydroxypropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3,5-dinitropyrazol-1-yl)-2-hydroxypropyl]carbamate Traditional Name: N-[3-(3,5-dinitropyrazol-1-yl)-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C11H17N5O7 MolecularWeight: 331.28198

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O7/c1-11(2,3)23-10(18)12-5-7(17)6-14-9(16(21)22)4-8(13-14)15(19)20/h4,7,17H,5-6H2,1-3H3,(H,12,18)