(4E)-4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(3-bromo-4-hydroxy-5-methoxy-benzylidene)isoquinoline-1,3-quinone Formula: C17H12BrNO4 MolecularWeight: 374.18548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)NC2=O)Br)O

InChI

InChI=1S/C17H12BrNO4/c1-23-14-8-9(7-13(18)15(14)20)6-12-10-4-2-3-5-11(10)16(21)19-17(12)22/h2-8,20H,1H3,(H,19,21,22)/b12-6+