3-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]butanal

Systemtic Name: 3-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]butanal Openeye Name: 3-[3-(3-nitrophenyl)isoxazol-5-yl]butanal CAS Name: 3-[3-(3-nitrophenyl)-5-isoxazolyl]butanal IUPAC Name: 3-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]butanal Traditional Name: 3-[3-(3-nitrophenyl)isoxazol-5-yl]butyraldehyde Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C1=CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CC=O)C1=CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-9(5-6-16)13-8-12(14-19-13)10-3-2-4-11(7-10)15(17)18/h2-4,6-9H,5H2,1H3