2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-dioxane-4,6-quinone Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C2=NCCCCC2)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C2=NCCCCC2)C

InChI

InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h9H,3-7H2,1-2H3