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

Systemtic Name: (4aR,8aR)-5-methoxy-2,2-dimethyl-4,7-bis(oxidanylidene)-8,8a-dihydro-3H-chromene-4a-carbonitrile Openeye Name: (4aR,8aR)-5-methoxy-2,2-dimethyl-4,7-dioxo-8,8a-dihydro-3H-chromene-4a-carbonitrile CAS Name: (4aR,8aR)-5-methoxy-2,2-dimethyl-4,7-dioxo-8,8a-dihydro-3H-1-benzopyran-4a-carbonitrile IUPAC Name: (4aR,8aR)-5-methoxy-2,2-dimethyl-4,7-dioxo-8,8a-dihydro-3H-chromene-4a-carbonitrile Traditional Name: (4aR,8aR)-4,7-diketo-5-methoxy-2,2-dimethyl-8,8a-dihydro-3H-chromene-4a-carbonitrile Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2(C(O1)CC(=O)C=C2OC)C#N)C

Isomeric SMILES

CC1(CC(=O)[C@@]2([C@H](O1)CC(=O)C=C2OC)C#N)C

InChI

InChI=1S/C13H15NO4/c1-12(2)6-9(16)13(7-14)10(17-3)4-8(15)5-11(13)18-12/h4,11H,5-6H2,1-3H3/t11-,13+/m1/s1