tert-butyl N-[3-(1H-imidazol-5-yl)-1-(2-nitrooxyethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(1H-imidazol-5-yl)-1-(2-nitrooxyethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1H-imidazol-5-ylmethyl)-2-(2-nitrooxyethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(1H-imidazol-5-yl)-1-(2-nitrooxyethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1H-imidazol-5-yl)-1-(2-nitrooxyethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(2-nitrooxyethylamino)ethyl]carbamic acid tert-butyl ester Formula: C13H21N5O6 MolecularWeight: 343.33574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O6/c1-13(2,3)24-12(20)17-10(6-9-7-14-8-16-9)11(19)15-4-5-23-18(21)22/h7-8,10H,4-6H2,1-3H3,(H,14,16)(H,15,19)(H,17,20)