Free Chemical Databases
-
[Synonyms]
NSC139971
[Structure]
[ Properties Computed from Structure]
Molecular Weight 269.2539 [g/mol] Molecular Formula C11H15N3O5 XLogP 0.7 H-Bond Donor 3 H-Bond Acceptor 6 Rotatable Bond Count 6 Tautomer Count 22 Exact Mass 269.101171 MonoIsotopic Mass 269.101171 Topological Polar Surface Area 106 Heavy Atom Count 19 Formal Charge 0 Complexity 404 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 N-[6-(ethoxycarbonylamino)-4-oxo-1H-pyridin-2-yl]carbamate
Canonical SMILES: CCOC(=O)NC1=CC(=O)C=C(N1)NC(=O)OCC
InChI: InChI=1/C11H15N3O5/c1-3-18-10(16)13-8-5-7(15)6-9(12-8)14-11(17)19-4-2/
h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16,17)/f/h12-14H
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