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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 2-phthalimidoethyl ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C19H20ClN3O4/c1-3-4-9-23-16(20)15(12(2)21-23)19(26)27-11-10-22-17(24)13-7-5-6-8-14(13)18(22)25/h5-8H,3-4,9-11H2,1-2H3