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

Systemtic Name: 3-(4-nitrophenyl)-2-oxidanylidene-propanoate hydrate Openeye Name: 3-(4-nitrophenyl)-2-oxo-propanoate hydrate CAS Name: 3-(4-nitrophenyl)-2-oxopropanoate hydrate IUPAC Name: 3-(4-nitrophenyl)-2-oxopropanoate hydrate Traditional Name: 2-keto-3-(4-nitrophenyl)propionate hydrate Formula: C9H8NO6- MolecularWeight: 226.16292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO5.H2O/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15;/h1-4H,5H2,(H,12,13);1H2/p-1