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

Systemtic Name: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(3-methylphenoxy)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(3-methylphenoxy)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-(3-methylphenoxy)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H14N2O5 MolecularWeight: 374.34626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5/c1-13-4-2-5-16(12-13)28-15-10-8-14(9-11-15)22-20(24)17-6-3-7-18(23(26)27)19(17)21(22)25/h2-12H,1H3