1-(3-isocyanato-4-methyl-phenyl)-3,3-dimethyl-azetidine-2,4-dione

Systemtic Name: 1-(3-isocyanato-4-methyl-phenyl)-3,3-dimethyl-azetidine-2,4-dione Openeye Name: 1-(3-isocyanato-4-methyl-phenyl)-3,3-dimethyl-azetidine-2,4-dione CAS Name: 1-(3-isocyanato-4-methylphenyl)-3,3-dimethylazetidine-2,4-dione IUPAC Name: 1-(3-isocyanato-4-methylphenyl)-3,3-dimethylazetidine-2,4-dione Traditional Name: 1-(3-isocyanato-4-methyl-phenyl)-3,3-dimethyl-azetidine-2,4-quinone Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-8-4-5-9(6-10(8)14-7-16)15-11(17)13(2,3)12(15)18/h4-6H,1-3H3