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

Systemtic Name: ethanoic acid; methyl 4-[nitroso(4-oxidanylbutyl)amino]butanoate Openeye Name: acetic acid; methyl 4-[4-hydroxybutyl(nitroso)amino]butanoate CAS Name: acetic acid; 4-[4-hydroxybutyl(nitroso)amino]butanoic acid methyl ester IUPAC Name: acetic acid; methyl 4-[4-hydroxybutyl(nitroso)amino]butanoate Traditional Name: acetic acid; 4-[4-hydroxybutyl(nitroso)amino]butyric acid methyl ester Formula: C11H22N2O6 MolecularWeight: 278.30218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O4.C2H4O2/c1-15-9(13)5-4-7-11(10-14)6-2-3-8-12;1-2(3)4/h12H,2-8H2,1H3;1H3,(H,3,4)