(4Z)-6-bromanyl-4-[(4-oxidanylbutylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-bromanyl-4-[(4-oxidanylbutylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[(4-hydroxybutylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[(4-hydroxybutylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[(4-hydroxybutylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[(4-hydroxybutylamino)methylene]isoquinoline-1,3-quinone Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CNCCCCO)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C/NCCCCO)/C(=O)NC2=O

InChI

InChI=1S/C14H15BrN2O3/c15-9-3-4-10-11(7-9)12(14(20)17-13(10)19)8-16-5-1-2-6-18/h3-4,7-8,16,18H,1-2,5-6H2,(H,17,19,20)/b12-8-