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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H17Cl2N3O6 MolecularWeight: 478.28218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H17Cl2N3O6/c1-12-18(20(23)25(24-12)8-13-4-2-3-5-17(13)22)21(27)31-10-15-7-16(26(28)29)6-14-9-30-11-32-19(14)15/h2-7H,8-11H2,1H3