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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid phthalimidomethyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O4/c1-13-17(18(22)25(23-13)11-14-7-3-2-4-8-14)21(28)29-12-24-19(26)15-9-5-6-10-16(15)20(24)27/h2-10H,11-12H2,1H3