1,3-diisocyanato-1-(isocyanatocarbamoyl)-3-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)urea

Systemtic Name: 1,3-diisocyanato-1-(isocyanatocarbamoyl)-3-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)urea Openeye Name: 1,3-diisocyanato-1-(isocyanatocarbamoyl)-3-(2,4,4-trimethyl-6-oxo-cyclohexen-1-yl)urea CAS Name: 1,3-diisocyanato-1-[oxo-[2-(oxomethylidene)hydrazinyl]methyl]-3-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)urea IUPAC Name: 1,3-diisocyanato-1-(isocyanatocarbamoyl)-3-(2,4,4-trimethyl-6-oxocyclohexen-1-yl)urea Traditional Name: 1,3-diisocyanato-1-(isocyanatocarbamoyl)-3-(6-keto-2,4,4-trimethyl-cyclohexen-1-yl)urea Formula: C14H14N6O6 MolecularWeight: 362.29756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1)(C)C)N(C(=O)N(C(=O)NN=C=O)N=C=O)N=C=O

Isomeric SMILES

CC1=C(C(=O)CC(C1)(C)C)N(C(=O)N(C(=O)NN=C=O)N=C=O)N=C=O

InChI

InChI=1S/C14H14N6O6/c1-9-4-14(2,3)5-10(24)11(9)19(16-7-22)13(26)20(17-8-23)12(25)18-15-6-21/h4-5H2,1-3H3,(H,18,25)