2-(4-nitrophenyl)-3-phenyl-4H-1,3-oxazol-3-ium-5-one perchlorate

Systemtic Name: 2-(4-nitrophenyl)-3-phenyl-4H-1,3-oxazol-3-ium-5-one perchlorate Openeye Name: 2-(4-nitrophenyl)-3-phenyl-4H-oxazol-3-ium-5-one perchlorate CAS Name: 2-(4-nitrophenyl)-3-phenyl-4H-oxazol-3-ium-5-one perchlorate IUPAC Name: 2-(4-nitrophenyl)-3-phenyl-4H-1,3-oxazol-3-ium-5-one perchlorate Traditional Name: 2-(4-nitrophenyl)-3-phenyl-2-oxazolin-3-ium-5-one perchlorate Formula: C15H11ClN2O8 MolecularWeight: 382.70944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)OC(=[N+]1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C(=O)OC(=[N+]1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H11N2O4.ClHO4/c18-14-10-16(12-4-2-1-3-5-12)15(21-14)11-6-8-13(9-7-11)17(19)20;2-1(3,4)5/h1-9H,10H2;(H,2,3,4,5)/q+1;/p-1