1-chloranylpropan-2-one; [5-(dimethylamino)-2-methyl-phenyl] N-methylcarbamate

Systemtic Name: 1-chloranylpropan-2-one; [5-(dimethylamino)-2-methyl-phenyl] N-methylcarbamate Openeye Name: 1-chloropropan-2-one; [5-(dimethylamino)-2-methyl-phenyl] N-methylcarbamate CAS Name: 1-chloro-2-propanone; N-methylcarbamic acid [5-(dimethylamino)-2-methylphenyl] ester IUPAC Name: 1-chloropropan-2-one; [5-(dimethylamino)-2-methylphenyl] N-methylcarbamate Traditional Name: 1-chloroacetone; N-methylcarbamic acid [5-(dimethylamino)-2-methyl-phenyl] ester Formula: C14H21ClN2O3 MolecularWeight: 300.78114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C)C)OC(=O)NC.CC(=O)CCl

Isomeric SMILES

CC1=C(C=C(C=C1)N(C)C)OC(=O)NC.CC(=O)CCl

InChI

InChI=1S/C11H16N2O2.C3H5ClO/c1-8-5-6-9(13(3)4)7-10(8)15-11(14)12-2;1-3(5)2-4/h5-7H,1-4H3,(H,12,14);2H2,1H3