2-[4-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxo-cyclohexa-1,5-dien-1-yl]oxyacetate CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxo-1-cyclohexa-1,5-dienyl]oxy]acetate IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxyacetate Traditional Name: 2-[4-[4-(1,3-benzodioxol-5-yl)-3-pyrazolin-3-ylidene]-6-ethyl-3-keto-cyclohexa-1,5-dien-1-yl]oxyacetate Formula: C20H17N2O6- MolecularWeight: 381.35878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CNN2)C3=CC4=C(C=C3)OCO4)C(=O)C=C1OCC(=O)[O-]

Isomeric SMILES

CCC1=CC(=C2C(=CNN2)C3=CC4=C(C=C3)OCO4)C(=O)C=C1OCC(=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-2-11-5-13(15(23)7-17(11)26-9-19(24)25)20-14(8-21-22-20)12-3-4-16-18(6-12)28-10-27-16/h3-8,21-22H,2,9-10H2,1H3,(H,24,25)/p-1