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Home > Nitro Compounds > 477870-50-1
477870-50-1 | ethyl (3E)-3-({[(E)-(2-nitrophenyl)-C-hydroxycarbonohydrazonoyl]formamido}imino)butanoate
CAS No: 477870-50-1 Catalog No: AG00IXK7 MDL No:MFCD02102371
Product Description
Catalog Number:
AG00IXK7
Chemical Name:
ethyl (3E)-3-({[(E)-(2-nitrophenyl)-C-hydroxycarbonohydrazonoyl]formamido}imino)butanoate
CAS Number:
477870-50-1
Molecular Formula:
C15H16N6O5
Molecular Weight:
360.3247
MDL Number:
MFCD02102371
IUPAC Name:
ethyl (3E)-3-[[(2E)-2-cyano-2-[(2-nitrophenyl)hydrazinylidene]acetyl]hydrazinylidene]butanoate
InChI:
InChI=1S/C15H16N6O5/c1-3-26-14(22)8-10(2)17-20-15(23)12(9-16)19-18-11-6-4-5-7-13(11)21(24)25/h4-7,18H,3,8H2,1-2H3,(H,20,23)/b17-10+,19-12+
InChI Key:
HXZVUZMZIKXWEK-SCQXFAKPSA-N
SMILES:
CCOC(=O)C/C(=N/NC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])/C#N)/C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
360.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.33g/mol
Monoisotopic Mass:
360.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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