methyl 2-(nitromethyl)-3-oxidanyl-pentanoate

Systemtic Name: methyl 2-(nitromethyl)-3-oxidanyl-pentanoate Openeye Name: methyl 3-hydroxy-2-(nitromethyl)pentanoate CAS Name: 3-hydroxy-2-(nitromethyl)pentanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(nitromethyl)pentanoate Traditional Name: 3-hydroxy-2-(nitromethyl)valeric acid methyl ester Formula: C7H13NO5 MolecularWeight: 191.18182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO5/c1-3-6(9)5(4-8(11)12)7(10)13-2/h5-6,9H,3-4H2,1-2H3