2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindole-1,3-dione Openeye Name: 2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindoline-1,3-dione CAS Name: 2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindole-1,3-dione IUPAC Name: 2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindole-1,3-dione Traditional Name: 2-(4-methoxy-1-nitro-9H-xanthen-9-yl)isoindoline-1,3-quinone Formula: C22H14N2O6 MolecularWeight: 402.35636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)[N+](=O)[O-])C(C3=CC=CC=C3O2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=C2C(=C(C=C1)[N+](=O)[O-])C(C3=CC=CC=C3O2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H14N2O6/c1-29-17-11-10-15(24(27)28)18-19(14-8-4-5-9-16(14)30-20(17)18)23-21(25)12-6-2-3-7-13(12)22(23)26/h2-11,19H,1H3