[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O6/c25-18(16-6-7-19-20(12-16)30-14-29-19)13-28-22(27)9-8-21(26)24-11-10-17(23-24)15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2