2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate

Systemtic Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxyethanoate Openeye Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxo-cyclohexa-1,5-dien-1-yl]oxyacetate CAS Name: 2-[[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]acetate IUPAC Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyacetate Traditional Name: 2-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-pyrazolin-3-ylidene]-3-keto-cyclohexa-1,5-dien-1-yl]oxyacetate Formula: C21H19N2O6- MolecularWeight: 395.38536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC(=O)[O-])NN1)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC(=O)[O-])NN1)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O6/c1-12-20(13-3-6-17-18(9-13)28-8-2-7-27-17)21(23-22-12)15-5-4-14(10-16(15)24)29-11-19(25)26/h3-6,9-10,22-23H,2,7-8,11H2,1H3,(H,25,26)/p-1