4-[(4-nitro-2-oxidanyl-phenyl)methoxy]isoindole-1,3-dione

Systemtic Name: 4-[(4-nitro-2-oxidanyl-phenyl)methoxy]isoindole-1,3-dione Openeye Name: 4-[(2-hydroxy-4-nitro-phenyl)methoxy]isoindoline-1,3-dione CAS Name: 4-[(2-hydroxy-4-nitrophenyl)methoxy]isoindole-1,3-dione IUPAC Name: 4-[(2-hydroxy-4-nitrophenyl)methoxy]isoindole-1,3-dione Traditional Name: 4-(2-hydroxy-4-nitro-benzyl)oxyisoindoline-1,3-quinone Formula: C15H10N2O6 MolecularWeight: 314.2497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)OCC3=C(C=C(C=C3)[N+](=O)[O-])O)C(=O)NC2=O

InChI

InChI=1S/C15H10N2O6/c18-11-6-9(17(21)22)5-4-8(11)7-23-12-3-1-2-10-13(12)15(20)16-14(10)19/h1-6,18H,7H2,(H,16,19,20)