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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H19ClN2O5/c1-3-4-7-21-17(19)16(11(2)20-21)18(23)24-9-13(22)12-5-6-14-15(8-12)26-10-25-14/h5-6,8H,3-4,7,9-10H2,1-2H3