ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-propanoylsulfanyl-propanoate

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-propanoylsulfanyl-propanoate Openeye Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-propanoylsulfanyl-propanoate CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-(1-oxopropylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-3-propanoylsulfanylpropanoate Traditional Name: 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-(propionylthio)propionic acid ethyl ester Formula: C13H22N2O7S MolecularWeight: 350.38798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCC(=O)SCC(C(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C13H22N2O7S/c1-5-10(16)23-7-9(11(17)21-6-2)14-12(18)13(3,4)8-22-15(19)20/h9H,5-8H2,1-4H3,(H,14,18)