(4aR,8aR)-2,2,5-trimethyl-4,7-bis(oxidanylidene)-8,8a-dihydro-3H-chromene-4a-carbonitrile

Systemtic Name: (4aR,8aR)-2,2,5-trimethyl-4,7-bis(oxidanylidene)-8,8a-dihydro-3H-chromene-4a-carbonitrile Openeye Name: (4aR,8aR)-2,2,5-trimethyl-4,7-dioxo-8,8a-dihydro-3H-chromene-4a-carbonitrile CAS Name: (4aR,8aR)-2,2,5-trimethyl-4,7-dioxo-8,8a-dihydro-3H-1-benzopyran-4a-carbonitrile IUPAC Name: (4aR,8aR)-2,2,5-trimethyl-4,7-dioxo-8,8a-dihydro-3H-chromene-4a-carbonitrile Traditional Name: (4aR,8aR)-4,7-diketo-2,2,5-trimethyl-8,8a-dihydro-3H-chromene-4a-carbonitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC2C1(C(=O)CC(O2)(C)C)C#N

Isomeric SMILES

CC1=CC(=O)C[C@@H]2[C@]1(C(=O)CC(O2)(C)C)C#N

InChI

InChI=1S/C13H15NO3/c1-8-4-9(15)5-11-13(8,7-14)10(16)6-12(2,3)17-11/h4,11H,5-6H2,1-3H3/t11-,13-/m1/s1