(4Z)-6-bromanyl-4-[[[4-(2-methoxyethoxy)-3-oxidanyl-phenyl]methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-bromanyl-4-[[[4-(2-methoxyethoxy)-3-oxidanyl-phenyl]methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[[3-hydroxy-4-(2-methoxyethoxy)phenyl]methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[[3-hydroxy-4-(2-methoxyethoxy)phenyl]methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[[3-hydroxy-4-(2-methoxyethoxy)phenyl]methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[[3-hydroxy-4-(2-methoxyethoxy)benzyl]amino]methylene]isoquinoline-1,3-quinone Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)CNC=C2C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

Isomeric SMILES

COCCOC1=C(C=C(C=C1)CN/C=C\2/C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

InChI

InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-