2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)-4-pyrazolyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H14N6O8 MolecularWeight: 502.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H14N6O8/c1-11-21(12(2)26(24-11)14-3-5-15(6-4-14)27(32)33)25-22(30)18-9-16(28(34)35)7-13-8-17(29(36)37)10-19(20(13)18)23(25)31/h3-10H,1-2H3