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

Systemtic Name: [4-(cyanomethyl)phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [4-(cyanomethyl)phenyl] 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid [4-(cyanomethyl)phenyl] ester Formula: C18H12N2O4 MolecularWeight: 320.29888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O4/c19-10-9-12-5-7-13(8-6-12)24-16(21)11-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-8H,9,11H2