[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H13BrN2O4 MolecularWeight: 425.23222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C20H13BrN2O4/c21-15-7-5-12(6-8-15)19-23-22-18(27-19)11-26-20(25)16-9-13-3-1-2-4-14(13)10-17(16)24/h1-10,24H,11H2