(E)-4-[(3-nitrophenyl)methoxy]-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-[(3-nitrophenyl)methoxy]-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-hydroxy-4-[(3-nitrophenyl)methoxy]but-3-en-2-one CAS Name: (E)-4-hydroxy-4-[(3-nitrophenyl)methoxy]-3-buten-2-one IUPAC Name: (E)-4-hydroxy-4-[(3-nitrophenyl)methoxy]but-3-en-2-one Traditional Name: (E)-4-hydroxy-4-(3-nitrobenzyl)oxy-but-3-en-2-one Formula: C11H11NO5 MolecularWeight: 237.20874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(O)OCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C=C(\O)/OCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-8(13)5-11(14)17-7-9-3-2-4-10(6-9)12(15)16/h2-6,14H,7H2,1H3/b11-5+