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

Systemtic Name: 3-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propanal Openeye Name: 3-[3-(3-nitrophenyl)isoxazol-5-yl]propanal CAS Name: 3-[3-(3-nitrophenyl)-5-isoxazolyl]propanal IUPAC Name: 3-[3-(3-nitrophenyl)-1,2-oxazol-5-yl]propanal Traditional Name: 3-[3-(3-nitrophenyl)isoxazol-5-yl]propionaldehyde Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4/c15-6-2-5-11-8-12(13-18-11)9-3-1-4-10(7-9)14(16)17/h1,3-4,6-8H,2,5H2