4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

Systemtic Name: 4-(6-bromanyl-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Openeye Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione IUPAC Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC(=O)CC2C3=CC4=C(C=C3Br)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1NC(=O)CC2C3=CC4=C(C=C3Br)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H18BrNO4/c23-16-10-20-19(27-11-28-20)8-14(16)15-9-21(26)24-17-6-13(7-18(25)22(15)17)12-4-2-1-3-5-12/h1-5,8,10,13,15H,6-7,9,11H2,(H,24,26)