1,3-bis(3-isocyanato-1,5,5-trimethyl-cyclohex-2-en-1-yl)-1,3-diazetidine-2,4-dione

Systemtic Name: 1,3-bis(3-isocyanato-1,5,5-trimethyl-cyclohex-2-en-1-yl)-1,3-diazetidine-2,4-dione Openeye Name: 1,3-bis(3-isocyanato-1,5,5-trimethyl-cyclohex-2-en-1-yl)-1,3-diazetidine-2,4-dione CAS Name: 1,3-bis(3-isocyanato-1,5,5-trimethyl-1-cyclohex-2-enyl)-1,3-diazetidine-2,4-dione IUPAC Name: 1,3-bis(3-isocyanato-1,5,5-trimethylcyclohex-2-en-1-yl)-1,3-diazetidine-2,4-dione Traditional Name: 1,3-bis(3-isocyanato-1,5,5-trimethyl-cyclohex-2-en-1-yl)-1,3-diazetidine-2,4-quinone Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(C1)(C)N2C(=O)N(C2=O)C3(CC(CC(=C3)N=C=O)(C)C)C)N=C=O)C

Isomeric SMILES

CC1(CC(=CC(C1)(C)N2C(=O)N(C2=O)C3(CC(CC(=C3)N=C=O)(C)C)C)N=C=O)C

InChI

InChI=1S/C22H28N4O4/c1-19(2)7-15(23-13-27)9-21(5,11-19)25-17(29)26(18(25)30)22(6)10-16(24-14-28)8-20(3,4)12-22/h9-10H,7-8,11-12H2,1-6H3