Diethyl (3-nitrophenylaminomethylene)malonate - CAS 40107-10-6
Catalog: |
BB024311 |
Product Name: |
Diethyl (3-nitrophenylaminomethylene)malonate |
CAS: |
40107-10-6 |
Synonyms: |
diethyl 2-[(3-nitroanilino)methylidene]propanedioate |
IUPAC Name: | diethyl 2-[(3-nitroanilino)methylidene]propanedioate |
Description: | Diethyl (3-nitrophenylaminomethylene)malonate (CAS# 40107-10-6 ) is a useful research chemical. |
Molecular Weight: | 308.29 |
Molecular Formula: | C14H16N2O6 |
Canonical SMILES: | CCOC(=O)C(=CNC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC |
InChI: | InChI=1S/C14H16N2O6/c1-3-21-13(17)12(14(18)22-4-2)9-15-10-6-5-7-11(8-10)16(19)20/h5-9,15H,3-4H2,1-2H3 |
InChI Key: | VNKXJOYRWHAQGB-UHFFFAOYSA-N |
Boiling Point: | 389.6 °C at 760 mmHg |
Density: | 1.302 g/cm3 |
MDL: | MFCD00718410 |
LogP: | 2.61300 |
Publication Number | Title | Priority Date |
KR-100844926-B1 | Quinoline derivatives as caspase-3 inhibitors, methods for their preparation and pharmaceutical compositions comprising them | 20070131 |
WO-2008093940-A1 | Quinoline derivatives as caspase-3 inhibitor, preparation process for the same and pharmaceutical composition comprising the same | 20070131 |
EP-0174832-A2 | Ethene derivatives | 19840911 |
US-4137227-A | 1-Alkyl-1,4-dihydro-4-oxo-7-triazenyl-3-quinolinecarboxylic acids | 19770829 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.10083623 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.10083623 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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