(2-nitrophenyl)methyl 2-oxidanylideneethanoate hydrate

Systemtic Name: (2-nitrophenyl)methyl 2-oxidanylideneethanoate hydrate Openeye Name: (2-nitrophenyl)methyl 2-oxoacetate hydrate CAS Name: 2-oxoacetic acid (2-nitrophenyl)methyl ester hydrate IUPAC Name: (2-nitrophenyl)methyl 2-oxoacetate hydrate Traditional Name: 2-ketoacetic acid (2-nitrobenzyl) ester hydrate Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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