(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H16ClN3O6S MolecularWeight: 485.89694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN3O6S/c1-12-18-8-19(33-21(18)25(24-12)16-4-2-15(23)3-5-16)22(27)31-10-14-7-17(26(28)29)6-13-9-30-11-32-20(13)14/h2-8H,9-11H2,1H3