methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-5-keto-1-phenyl-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5/c1-14(23-12-15-8-9-18-19(10-15)30-13-29-18)21-17(11-20(26)28-2)24-25(22(21)27)16-6-4-3-5-7-16/h3-10,23H,11-13H2,1-2H3/b21-14-