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Home > Nitro Compounds > 332163-58-3
332163-58-3 | N-(4-Ethoxy-phenyl)-N-(4-methoxy-benzyl)-3-nitro-benzamide
CAS No: 332163-58-3 Catalog No: AG01F757 MDL No:
Product Description
Catalog Number:
AG01F757
Chemical Name:
N-(4-Ethoxy-phenyl)-N-(4-methoxy-benzyl)-3-nitro-benzamide
CAS Number:
332163-58-3
Molecular Formula:
C23H22N2O5
Molecular Weight:
406.4312
IUPAC Name:
N-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
InChI:
InChI=1S/C23H22N2O5/c1-3-30-22-13-9-19(10-14-22)24(16-17-7-11-21(29-2)12-8-17)23(26)18-5-4-6-20(15-18)25(27)28/h4-15H,3,16H2,1-2H3
InChI Key:
XDSRHURUKKSYOG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccc(cc1)OC
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.153g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.438g/mol
Monoisotopic Mass:
406.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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