5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)isoindole-1,3-dione Openeye Name: 5-(2,4-dinitrophenoxy)-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(2,4-dinitrophenoxy)-2-(p-tolyl)isoindoline-1,3-quinone Formula: C21H13N3O7 MolecularWeight: 419.34382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O7/c1-12-2-4-13(5-3-12)22-20(25)16-8-7-15(11-17(16)21(22)26)31-19-9-6-14(23(27)28)10-18(19)24(29)30/h2-11H,1H3