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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC3=NN=C(O3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H14BrN3O3/c22-17-7-3-2-6-16(17)21-25-24-19(28-21)13-27-20(26)12-11-15-10-9-14-5-1-4-8-18(14)23-15/h1-12H,13H2/b12-11+