(2E)-1-isocyanato-2-(methoxymethylidene)-3-methyl-butan-1-one

Systemtic Name: (2E)-1-isocyanato-2-(methoxymethylidene)-3-methyl-butan-1-one Openeye Name: (2E)-2-(methoxymethylene)-3-methyl-butanoyl isocyanate CAS Name: (2E)-1-isocyanato-2-(methoxymethylidene)-3-methyl-1-butanone IUPAC Name: (2E)-2-(methoxymethylidene)-3-methylbutanoyl isocyanate Traditional Name: (E)-1-isocyanato-2-isopropyl-3-methoxy-prop-2-en-1-one Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)/C(=C\OC)/C(=O)N=C=O

InChI

InChI=1S/C8H11NO3/c1-6(2)7(4-12-3)8(11)9-5-10/h4,6H,1-3H3/b7-4+