4-[[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]benzonitrile CAS Name: 4-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]benzonitrile IUPAC Name: 4-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]benzonitrile Traditional Name: 4-[(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]benzonitrile Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N2O2/c17-9-11-5-7-12(8-6-11)10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,10H2