(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14BrClN2O4 MolecularWeight: 449.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C19H14BrClN2O4/c20-14-3-1-11(2-4-14)16-7-17(23-22-16)19(24)26-9-13-6-15(21)5-12-8-25-10-27-18(12)13/h1-7H,8-10H2,(H,22,23)