ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-4-(methylthio)butyric acid ethyl ester Formula: C12H22N2O6S MolecularWeight: 322.37788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C12H22N2O6S/c1-5-19-10(15)9(6-7-21-4)13-11(16)12(2,3)8-20-14(17)18/h9H,5-8H2,1-4H3,(H,13,16)