ethyl 2-(3-nitrooxybutanoylamino)-3-propanoylsulfanyl-propanoate

Systemtic Name: ethyl 2-(3-nitrooxybutanoylamino)-3-propanoylsulfanyl-propanoate Openeye Name: ethyl 2-(3-nitrooxybutanoylamino)-3-propanoylsulfanyl-propanoate CAS Name: 2-[(3-nitrooxy-1-oxobutyl)amino]-3-(1-oxopropylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-nitrooxybutanoylamino)-3-propanoylsulfanylpropanoate Traditional Name: 2-(3-nitrooxybutanoylamino)-3-(propionylthio)propionic acid ethyl ester Formula: C12H20N2O7S MolecularWeight: 336.3614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O7S/c1-4-11(16)22-7-9(12(17)20-5-2)13-10(15)6-8(3)21-14(18)19/h8-9H,4-7H2,1-3H3,(H,13,15)