1,3-benzodioxol-5-ylmethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid piperonyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O4/c1-13-18(19(21)23(22-13)10-14-5-3-2-4-6-14)20(24)25-11-15-7-8-16-17(9-15)27-12-26-16/h2-9H,10-12H2,1H3