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Home > Nitro Compounds > 1164563-62-5
1164563-62-5 | N-[2-(4-Nitro-phenyl)-1-p-tolylcarbamoyl-vinyl]-benzamide
CAS No: 1164563-62-5 Catalog No: AG01F76U MDL No:
Product Description
Catalog Number:
AG01F76U
Chemical Name:
N-[2-(4-Nitro-phenyl)-1-p-tolylcarbamoyl-vinyl]-benzamide
CAS Number:
1164563-62-5
Molecular Formula:
C23H19N3O4
Molecular Weight:
401.4147
IUPAC Name:
N-[(E)-3-(4-methylanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C23H19N3O4/c1-16-7-11-19(12-8-16)24-23(28)21(25-22(27)18-5-3-2-4-6-18)15-17-9-13-20(14-10-17)26(29)30/h2-15H,1H3,(H,24,28)(H,25,27)/b21-15+
InChI Key:
XCRIAUBITZEQEJ-RCCKNPSSSA-N
SMILES:
Cc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)[N+](=O)[O-])/NC(=O)c1ccccc1
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
401.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.422g/mol
Monoisotopic Mass:
401.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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