1,3-dimethylidene-1,3-diazetidine-1,3-diium-2,4-dione; 3-isocyanato-1,1,5-trimethyl-cyclohexane

Systemtic Name: 1,3-dimethylidene-1,3-diazetidine-1,3-diium-2,4-dione; 3-isocyanato-1,1,5-trimethyl-cyclohexane Openeye Name: 1,3-dimethylene-1,3-diazetidine-1,3-diium-2,4-dione; 3-isocyanato-1,1,5-trimethyl-cyclohexane CAS Name: 1,3-dimethylene-1,3-diazetidine-1,3-diium-2,4-dione; 3-isocyanato-1,1,5-trimethylcyclohexane IUPAC Name: 1,3-dimethylidene-1,3-diazetidine-1,3-diium-2,4-dione; 3-isocyanato-1,1,5-trimethylcyclohexane Traditional Name: 1,3-dimethylene-1,3-diazetidine-1,3-diium-2,4-quinone; 3-isocyanato-1,1,5-trimethyl-cyclohexane Formula: C14H21N3O3+2 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)N=C=O.C=[N+]1C(=O)[N+](=C)C1=O

Isomeric SMILES

CC1CC(CC(C1)(C)C)N=C=O.C=[N+]1C(=O)[N+](=C)C1=O

InChI

InChI=1S/C10H17NO.C4H4N2O2/c1-8-4-9(11-7-12)6-10(2,3)5-8;1-5-3(7)6(2)4(5)8/h8-9H,4-6H2,1-3H3;1-2H2/q;+2