3-cyanopropyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: 3-cyanopropyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 3-cyanopropyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid 3-cyanopropyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c17-9-3-4-11-22-14(19)8-5-10-18-15(20)12-6-1-2-7-13(12)16(18)21/h1-2,6-7H,3-5,8,10-11H2