2-methyl-1-nitro-butane-1,1,3-triol

Systemtic Name: 2-methyl-1-nitro-butane-1,1,3-triol Openeye Name: 2-methyl-1-nitro-butane-1,1,3-triol CAS Name: 2-methyl-1-nitrobutane-1,1,3-triol IUPAC Name: 2-methyl-1-nitrobutane-1,1,3-triol Traditional Name: 2-methyl-1-nitro-butane-1,1,3-triol Formula: C5H11NO5 MolecularWeight: 165.14454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)O)C([N+](=O)[O-])(O)O

Isomeric SMILES

CC(C(C)O)C([N+](=O)[O-])(O)O

InChI

InChI=1S/C5H11NO5/c1-3(4(2)7)5(8,9)6(10)11/h3-4,7-9H,1-2H3