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

Systemtic Name: 4-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butanal Openeye Name: 4-[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]butanal CAS Name: 4-[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]butanal IUPAC Name: 4-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butanal Traditional Name: 4-[3-(3-nitrophenyl)-2-isoxazolin-5-yl]butyraldehyde Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c16-7-2-1-6-12-9-13(14-19-12)10-4-3-5-11(8-10)15(17)18/h3-5,7-8,12H,1-2,6,9H2