3-[[[1,3-bis(oxidanylidene)isoindol-5-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[1,3-bis(oxidanylidene)isoindol-5-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(1,3-dioxoisoindolin-5-yl)amino]methyl]benzonitrile CAS Name: 3-[[(1,3-dioxo-5-isoindolyl)amino]methyl]benzonitrile IUPAC Name: 3-[[(1,3-dioxoisoindol-5-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(1,3-diketoisoindolin-5-yl)amino]methyl]benzonitrile Formula: C16H11N3O2 MolecularWeight: 277.27744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)C(=O)NC3=O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)C(=O)NC3=O)C#N

InChI

InChI=1S/C16H11N3O2/c17-8-10-2-1-3-11(6-10)9-18-12-4-5-13-14(7-12)16(21)19-15(13)20/h1-7,18H,9H2,(H,19,20,21)