1,3-benzodioxol-5-yl 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C22H15N3O4 MolecularWeight: 385.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H15N3O4/c26-22(29-17-8-9-19-20(11-17)28-14-27-19)18-13-25(16-6-2-1-3-7-16)24-21(18)15-5-4-10-23-12-15/h1-13H,14H2