2-nitropropanedial hydrate

Systemtic Name: 2-nitropropanedial hydrate Openeye Name: 2-nitropropanedial hydrate CAS Name: 2-nitropropanedial hydrate IUPAC Name: 2-nitropropanedial hydrate Traditional Name: 2-nitromalonaldehyde hydrate Formula: C3H5NO5 MolecularWeight: 135.0755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H3NO4.H2O/c5-1-3(2-6)4(7)8;/h1-3H;1H2