methyl 2-(nitromethyl)butanoate

Systemtic Name: methyl 2-(nitromethyl)butanoate Openeye Name: methyl 2-(nitromethyl)butanoate CAS Name: 2-(nitromethyl)butanoic acid methyl ester IUPAC Name: methyl 2-(nitromethyl)butanoate Traditional Name: 2-(nitromethyl)butyric acid methyl ester Formula: C6H11NO4 MolecularWeight: 161.15584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC(C[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C6H11NO4/c1-3-5(4-7(9)10)6(8)11-2/h5H,3-4H2,1-2H3