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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 2-phthalimidoethyl ester Formula: C22H18ClN3O4 MolecularWeight: 423.84902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O4/c1-14-18(19(23)26(24-14)13-15-7-3-2-4-8-15)22(29)30-12-11-25-20(27)16-9-5-6-10-17(16)21(25)28/h2-10H,11-13H2,1H3