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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N3O4/c25-19(10-13-23-20(26)17-4-1-2-5-18(17)21(23)27)28-14-15-6-8-16(9-7-15)24-12-3-11-22-24/h1-9,11-12H,10,13-14H2