(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H15BrN2O4 MolecularWeight: 427.2481

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H15BrN2O4/c21-15-10-19-18(25-7-8-26-19)9-13(15)12-27-20(24)6-5-14-11-22-16-3-1-2-4-17(16)23-14/h1-6,9-11H,7-8,12H2/b6-5+