2-(hydroxymethyl)-3-[(4-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-3-[(4-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-(hydroxymethyl)-3-[(4-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-(hydroxymethyl)-3-[(4-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-3-[(4-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-methylol-3-(4-nitrobenzyl)oxy-pyran-4-one Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(OC=CC2=O)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC2=C(OC=CC2=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO6/c15-7-12-13(11(16)5-6-19-12)20-8-9-1-3-10(4-2-9)14(17)18/h1-6,15H,7-8H2