[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl quinoline-2-carboxylate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl quinoline-2-carboxylate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C21H14N2O5 MolecularWeight: 374.34626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H14N2O5/c24-21(17-7-5-13-3-1-2-4-16(13)22-17)25-11-15-10-19(28-23-15)14-6-8-18-20(9-14)27-12-26-18/h1-10H,11-12H2