(4E)-4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-allyloxy-3-bromo-5-ethoxy-benzylidene)isoquinoline-1,3-quinone Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)NC2=O)Br)OCC=C

InChI

InChI=1S/C21H18BrNO4/c1-3-9-27-19-17(22)11-13(12-18(19)26-4-2)10-16-14-7-5-6-8-15(14)20(24)23-21(16)25/h3,5-8,10-12H,1,4,9H2,2H3,(H,23,24,25)/b16-10+