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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-3,5-8,10,13-14H,4H2,1H3