ethyl 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H16Cl2N2O4 MolecularWeight: 419.25804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O4/c1-3-26-20(25)18-11(2)19(12-4-7-16-17(8-12)28-10-27-16)24(23-18)15-6-5-13(21)9-14(15)22/h4-9H,3,10H2,1-2H3