2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H16N4O4 MolecularWeight: 412.39754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O4/c1-13-21(14(2)26(24-13)16-8-4-3-5-9-16)25-22(28)18-10-6-7-15-11-17(27(30)31)12-19(20(15)18)23(25)29/h3-12H,1-2H3