[4-(cyanomethyl)phenyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [4-(cyanomethyl)phenyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [4-(cyanomethyl)phenyl] ester Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H14N2O4/c20-11-9-13-5-7-14(8-6-13)25-17(22)10-12-21-18(23)15-3-1-2-4-16(15)19(21)24/h1-8H,9-10,12H2