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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4/c1-14-19(12-24)20(27(25-14)16-8-4-3-5-9-16)13-31-23(30)15(2)26-21(28)17-10-6-7-11-18(17)22(26)29/h3-11,15H,13H2,1-2H3