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

Systemtic Name: (4Z)-6-bromanyl-4-[[(4-ethoxy-3-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[(4-ethoxy-3-hydroxy-phenyl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[(4-ethoxy-3-hydroxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[(4-ethoxy-3-hydroxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[(4-ethoxy-3-hydroxy-benzyl)amino]methylene]isoquinoline-1,3-quinone Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC=C2C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN/C=C\2/C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

InChI

InChI=1S/C19H17BrN2O4/c1-2-26-17-6-3-11(7-16(17)23)9-21-10-15-14-8-12(20)4-5-13(14)18(24)22-19(15)25/h3-8,10,21,23H,2,9H2,1H3,(H,22,24,25)/b15-10-