(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H18ClN3O6 MolecularWeight: 491.87992

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18ClN3O6/c26-19-8-6-16(7-9-19)23-22(12-28(27-23)20-4-2-1-3-5-20)25(30)34-14-18-11-21(29(31)32)10-17-13-33-15-35-24(17)18/h1-12H,13-15H2