ethanoic acid; methyl 3-[nitroso(4-oxidanylbutyl)amino]propanoate

Systemtic Name: ethanoic acid; methyl 3-[nitroso(4-oxidanylbutyl)amino]propanoate Openeye Name: acetic acid; methyl 3-[4-hydroxybutyl(nitroso)amino]propanoate CAS Name: acetic acid; 3-[4-hydroxybutyl(nitroso)amino]propanoic acid methyl ester IUPAC Name: acetic acid; methyl 3-[4-hydroxybutyl(nitroso)amino]propanoate Traditional Name: acetic acid; 3-[4-hydroxybutyl(nitroso)amino]propionic acid methyl ester Formula: C10H20N2O6 MolecularWeight: 264.2756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)CCN(CCCCO)N=O

Isomeric SMILES

CC(=O)O.COC(=O)CCN(CCCCO)N=O

InChI

InChI=1S/C8H16N2O4.C2H4O2/c1-14-8(12)4-6-10(9-13)5-2-3-7-11;1-2(3)4/h11H,2-7H2,1H3;1H3,(H,3,4)