Home Nitros diethyl 2-[(2-nitroanilino)methylidene]malonate

diethyl 2-[(2-nitroanilino)methylidene]malonate

CAS No.:
7255-58-5
Catalog Number:
AG005R3X
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
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Product Description
Catalog Number:
AG005R3X
Chemical Name:
diethyl 2-[(2-nitroanilino)methylidene]malonate
CAS Number:
7255-58-5
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
MDL Number:
MFCD00116163
IUPAC Name:
diethyl 2-[(2-nitroanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16N2O6/c1-3-21-13(17)10(14(18)22-4-2)9-15-11-7-5-6-8-12(11)16(19)20/h5-9,15H,3-4H2,1-2H3
InChI Key:
JTGABQDBMSKAOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccccc1[N+](=O)[O-])C(=O)OCC
NSC Number:
15777
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.101g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.29g/mol
Monoisotopic Mass:
308.101g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties