ethanoic acid; methyl 2-[hydroxymethyl(nitroso)amino]butanoate

Systemtic Name: ethanoic acid; methyl 2-[hydroxymethyl(nitroso)amino]butanoate Openeye Name: acetic acid; methyl 2-[hydroxymethyl(nitroso)amino]butanoate CAS Name: acetic acid; 2-[hydroxymethyl(nitroso)amino]butanoic acid methyl ester IUPAC Name: acetic acid; methyl 2-[hydroxymethyl(nitroso)amino]butanoate Traditional Name: acetic acid; 2-[methylol(nitroso)amino]butyric acid methyl ester Formula: C8H16N2O6 MolecularWeight: 236.22244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N(CO)N=O.CC(=O)O

Isomeric SMILES

CCC(C(=O)OC)N(CO)N=O.CC(=O)O

InChI

InChI=1S/C6H12N2O4.C2H4O2/c1-3-5(6(10)12-2)8(4-9)7-11;1-2(3)4/h5,9H,3-4H2,1-2H3;1H3,(H,3,4)