[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O5/c1-14-20(21(23)26(25-14)11-15-5-3-2-4-6-15)22(28)29-12-19(27)24-10-16-7-8-17-18(9-16)31-13-30-17/h2-9H,10-13H2,1H3,(H,24,27)