2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C26H18N2O5 MolecularWeight: 438.43152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)C

InChI

InChI=1S/C26H18N2O5/c1-15-9-10-19(13-16(15)2)33-18-6-3-5-17(14-18)27-25(29)21-8-4-7-20-23(28(31)32)12-11-22(24(20)21)26(27)30/h3-14H,1-2H3