1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine Openeye Name: 1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine CAS Name: 1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine Traditional Name: 1-(2,5-dimethylphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phthalazine Formula: C25H21N3O5 MolecularWeight: 443.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C3=CC=CC=C32)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C25H21N3O5/c1-15-7-8-16(2)22(9-15)23-20-5-3-4-6-21(20)25(27-26-23)32-13-18-11-19(28(29)30)10-17-12-31-14-33-24(17)18/h3-11H,12-14H2,1-2H3