[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H14BrN3O3 MolecularWeight: 436.25816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C=CC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)/C=C/C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br)N=CC=C2

InChI

InChI=1S/C21H14BrN3O3/c22-17-8-2-6-16(12-17)21-24-18(28-25-21)13-27-19(26)10-9-15-5-1-4-14-7-3-11-23-20(14)15/h1-12H,13H2/b10-9+