(4-methanoyl-2-methoxy-phenyl) 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O6/c1-31-23-13-17(16-29)7-9-22(23)34-26(30)20-15-28(19-5-3-2-4-6-19)27-25(20)18-8-10-21-24(14-18)33-12-11-32-21/h2-10,13-16H,11-12H2,1H3