2-chloranyl-4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile CAS Name: 2-chloro-4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile IUPAC Name: 2-chloro-4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile Traditional Name: 2-chloro-4-(1,3-diketo-5-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzonitrile Formula: C16H13ClN2O2 MolecularWeight: 300.73962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C16H13ClN2O2/c1-9-2-5-12-13(6-9)16(21)19(15(12)20)11-4-3-10(8-18)14(17)7-11/h2-4,7,12-13H,5-6H2,1H3