(4Z)-6-bromanyl-4-[[(2,2-dimethyl-7-oxidanyl-1,3-benzodioxol-5-yl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-bromanyl-4-[[(2,2-dimethyl-7-oxidanyl-1,3-benzodioxol-5-yl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-bromo-4-[[(7-hydroxy-2,2-dimethyl-1,3-benzodioxol-5-yl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-bromo-4-[[(7-hydroxy-2,2-dimethyl-1,3-benzodioxol-5-yl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-bromo-4-[[(7-hydroxy-2,2-dimethyl-1,3-benzodioxol-5-yl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-bromo-4-[[(7-hydroxy-2,2-dimethyl-1,3-benzodioxol-5-yl)methylamino]methylene]isoquinoline-1,3-quinone Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C(=CC(=C2)CNC=C3C4=C(C=CC(=C4)Br)C(=O)NC3=O)O)C

Isomeric SMILES

CC1(OC2=C(O1)C(=CC(=C2)CN/C=C\3/C4=C(C=CC(=C4)Br)C(=O)NC3=O)O)C

InChI

InChI=1S/C20H17BrN2O5/c1-20(2)27-16-6-10(5-15(24)17(16)28-20)8-22-9-14-13-7-11(21)3-4-12(13)18(25)23-19(14)26/h3-7,9,22,24H,8H2,1-2H3,(H,23,25,26)/b14-9-