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

Systemtic Name: propan-2-yl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4/c1-14(2)27-21(24)17-13-23(16-6-4-3-5-7-16)22-20(17)15-8-9-18-19(12-15)26-11-10-25-18/h3-9,12-14H,10-11H2,1-2H3