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

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-allyloxy-3-bromo-5-methoxy-benzylidene)isoquinoline-1,3-quinone Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)NC2=O)Br)OCC=C

InChI

InChI=1S/C20H16BrNO4/c1-3-8-26-18-16(21)10-12(11-17(18)25-2)9-15-13-6-4-5-7-14(13)19(23)22-20(15)24/h3-7,9-11H,1,8H2,2H3,(H,22,23,24)/b15-9+