3-isocyanato-5-methyl-hex-5-ene-2,4-dione

Systemtic Name: 3-isocyanato-5-methyl-hex-5-ene-2,4-dione Openeye Name: 3-isocyanato-5-methyl-hex-5-ene-2,4-dione CAS Name: 3-isocyanato-5-methyl-5-hexene-2,4-dione IUPAC Name: 3-isocyanato-5-methylhex-5-ene-2,4-dione Traditional Name: 3-isocyanato-5-methyl-hex-5-ene-2,4-dione Formula: C8H9NO3 MolecularWeight: 167.16196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C(C(=O)C)N=C=O

Isomeric SMILES

CC(=C)C(=O)C(C(=O)C)N=C=O

InChI

InChI=1S/C8H9NO3/c1-5(2)8(12)7(6(3)11)9-4-10/h7H,1H2,2-3H3