(4Z)-5-bromanyl-4-[[(4-methoxy-3-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-5-bromanyl-4-[[(4-methoxy-3-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-5-bromo-4-[[(3-hydroxy-4-methoxy-phenyl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-5-bromo-4-[[(3-hydroxy-4-methoxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-5-bromo-4-[[(3-hydroxy-4-methoxyphenyl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-5-bromo-4-[[(3-hydroxy-4-methoxy-benzyl)amino]methylene]isoquinoline-1,3-quinone Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC=C2C3=C(C=CC=C3Br)C(=O)NC2=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN/C=C\2/C3=C(C=CC=C3Br)C(=O)NC2=O)O

InChI

InChI=1S/C18H15BrN2O4/c1-25-15-6-5-10(7-14(15)22)8-20-9-12-16-11(3-2-4-13(16)19)17(23)21-18(12)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)/b12-9-