4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]but-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]but-1-ynyl]benzenecarbonitrile Openeye Name: 4-[3-(1,3-dioxoisoindolin-2-yl)but-1-ynyl]benzonitrile CAS Name: 4-[3-(1,3-dioxo-2-isoindolyl)but-1-ynyl]benzonitrile IUPAC Name: 4-[3-(1,3-dioxoisoindol-2-yl)but-1-ynyl]benzonitrile Traditional Name: 4-(3-phthalimidobut-1-ynyl)benzonitrile Formula: C19H12N2O2 MolecularWeight: 300.31078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C#CC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H12N2O2/c1-13(6-7-14-8-10-15(12-20)11-9-14)21-18(22)16-4-2-3-5-17(16)19(21)23/h2-5,8-11,13H,1H3