(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC=CC=C4

InChI

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