2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxylic acid 2-phthalimidoethyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H19N5O5/c1-3-30-18-9-8-17(23-24-18)26-13(2)16(12-22-26)21(29)31-11-10-25-19(27)14-6-4-5-7-15(14)20(25)28/h4-9,12H,3,10-11H2,1-2H3