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

Systemtic Name: tert-butyl N-[1-(2-nitrooxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-(2-nitrooxyethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-nitrooxyethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-nitrooxyethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-(2-nitrooxyethylamino)ethyl]carbamic acid tert-butyl ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6/c1-16(2,3)25-15(21)18-13(11-12-7-5-4-6-8-12)14(20)17-9-10-24-19(22)23/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,21)