3-cyanopropyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: 3-cyanopropyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: 3-cyanopropyl 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid 3-cyanopropyl ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OCCCC#N

InChI

InChI=1S/C14H12N2O4/c15-7-3-4-8-20-12(17)9-16-13(18)10-5-1-2-6-11(10)14(16)19/h1-2,5-6H,3-4,8-9H2