(4Z)-4-[[(4-azanyl-3-oxidanyl-phenyl)methylamino]methylidene]-6-bromanyl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[(4-azanyl-3-oxidanyl-phenyl)methylamino]methylidene]-6-bromanyl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[(4-amino-3-hydroxy-phenyl)methylamino]methylene]-6-bromo-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[(4-amino-3-hydroxyphenyl)methylamino]methylidene]-6-bromoisoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[(4-amino-3-hydroxyphenyl)methylamino]methylidene]-6-bromoisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[(4-amino-3-hydroxy-benzyl)amino]methylene]-6-bromo-isoquinoline-1,3-quinone Formula: C17H14BrN3O3 MolecularWeight: 388.21536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC=C2C3=C(C=CC(=C3)Br)C(=O)NC2=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1CN/C=C\2/C3=C(C=CC(=C3)Br)C(=O)NC2=O)O)N

InChI

InChI=1S/C17H14BrN3O3/c18-10-2-3-11-12(6-10)13(17(24)21-16(11)23)8-20-7-9-1-4-14(19)15(22)5-9/h1-6,8,20,22H,7,19H2,(H,21,23,24)/b13-8-