Free Chemical Databases
-
[Synonyms]
NSC635523
AIDS135578
AIDS-135578
STK028279
ZINC01624488
Ethyl (2,6-dimethylanilino)(oxo)acetate
BAS 01935662
NCI60_011835
N-(2,6-Dimethyl-phenyl)-oxalamic acid ethyl ester
[Structure]
[ Properties Computed from Structure]
Molecular Weight 221.2524 [g/mol] Molecular Formula C12H15NO3 XLogP 1.9 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 221.105193 MonoIsotopic Mass 221.105193 Topological Polar Surface Area 55.4 Heavy Atom Count 16 Formal Charge 0 Complexity 255 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 2-[(2,6-dimethylphenyl)amino]-2-oxoacetate
Canonical SMILES: CCOC(=O)C(=O)NC1=C(C=CC=C1C)C
InChI: InChI=1/C12H15NO3/c1-4-16-12(15)11(14)13-10-8(2)6-5-7-9(10)3/h5-7H,4H2,
1-3H3,(H,13,14)/f/h13H
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