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

Systemtic Name: (4Z)-6-bromanyl-4-[[(4-hexoxy-3-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[(4-hexoxy-3-hydroxy-phenyl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[(4-hexoxy-3-hydroxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[(4-hexoxy-3-hydroxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[(4-hexoxy-3-hydroxy-benzyl)amino]methylene]isoquinoline-1,3-quinone Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CNC=C2C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CN/C=C\2/C3=C(C=CC(=C3)Br)C(=O)NC2=O)O

InChI

InChI=1S/C23H25BrN2O4/c1-2-3-4-5-10-30-21-9-6-15(11-20(21)27)13-25-14-19-18-12-16(24)7-8-17(18)22(28)26-23(19)29/h6-9,11-12,14,25,27H,2-5,10,13H2,1H3,(H,26,28,29)/b19-14-