4-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(4-nitrophenyl)methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-(4-nitrobenzyl)phthalazin-1-one Formula: C23H19N3O3 MolecularWeight: 385.41526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3/c1-15-7-8-16(2)21(13-15)22-19-5-3-4-6-20(19)23(27)25(24-22)14-17-9-11-18(12-10-17)26(28)29/h3-13H,14H2,1-2H3