2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-6-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=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

InChI

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