3-(4-nitrophenyl)-2-oxidanylidene-propanal hydrate

Systemtic Name: 3-(4-nitrophenyl)-2-oxidanylidene-propanal hydrate Openeye Name: 3-(4-nitrophenyl)-2-oxo-propanal hydrate CAS Name: 3-(4-nitrophenyl)-2-oxopropanal hydrate IUPAC Name: 3-(4-nitrophenyl)-2-oxopropanal hydrate Traditional Name: 2-keto-3-(4-nitrophenyl)propionaldehyde hydrate Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C=O)[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C=O)[N+](=O)[O-].O

InChI

InChI=1S/C9H7NO4.H2O/c11-6-9(12)5-7-1-3-8(4-2-7)10(13)14;/h1-4,6H,5H2;1H2