3-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanal

Systemtic Name: 3-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanal Openeye Name: 3-[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]propanal CAS Name: 3-[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]propanal IUPAC Name: 3-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanal Traditional Name: 3-[3-(3-nitrophenyl)-2-isoxazolin-5-yl]propionaldehyde Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CCC=O

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CCC=O

InChI

InChI=1S/C12H12N2O4/c15-6-2-5-11-8-12(13-18-11)9-3-1-4-10(7-9)14(16)17/h1,3-4,6-7,11H,2,5,8H2