tert-butyl [3-[methyl(2-nitrooxyethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylmethanoate

Systemtic Name: tert-butyl [3-[methyl(2-nitrooxyethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylmethanoate Openeye Name: tert-butyl [2-(tert-butoxycarbonylamino)-3-[methyl(2-nitrooxyethyl)amino]-3-oxo-propyl]sulfanylformate CAS Name: [[3-[methyl(2-nitrooxyethyl)amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [3-[methyl(2-nitrooxyethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanylformate Traditional Name: [[2-(tert-butoxycarbonylamino)-3-keto-3-[methyl(2-nitrooxyethyl)amino]propyl]thio]formic acid tert-butyl ester Formula: C16H29N3O8S MolecularWeight: 423.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(=O)OC(C)(C)C)C(=O)N(C)CCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC(=O)OC(C)(C)C)C(=O)N(C)CCO[N+](=O)[O-]

InChI

InChI=1S/C16H29N3O8S/c1-15(2,3)26-13(21)17-11(10-28-14(22)27-16(4,5)6)12(20)18(7)8-9-25-19(23)24/h11H,8-10H2,1-7H3,(H,17,21)