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

Systemtic Name: 6-bromanyl-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-bromo-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-bromo-2-[3,5-dimethyl-1-(4-nitrophenyl)-4-pyrazolyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-bromo-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-bromo-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]benzo[de]isoquinoline-1,3-quinone Formula: C23H15BrN4O4 MolecularWeight: 491.2936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15BrN4O4/c1-12-21(13(2)27(25-12)14-6-8-15(9-7-14)28(31)32)26-22(29)17-5-3-4-16-19(24)11-10-18(20(16)17)23(26)30/h3-11H,1-2H3