Chemical ID: 7516039

CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cc(c(c(c2)Cl)OC)Cl
Chemical ID:
7516039
Name [?]:
3,5-dichloro-N-(4-ethoxy-2-nitro-phenyl)-4-methoxy-benzamide
SMILES [?]:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cc(c(c(c2)Cl)OC)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O5/c1-3-25-10-4-5-13(14(8-10)20(22)23)19-16(21)9-6-11(17)15(24-2)12(18)7-9/h4-8H,3H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,5,6,17,21,9,16,4,18,20,7,8,19,14,25,22,13,10,15,11,12,23,3/E:(6,7)(11,12)(17,18)(22,23)/CRV:20.5/rA:25nCCOCCCCCCN+OO-NCOCCCCCCClOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2N2O5
All Atoms:39
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:6.43509
Area:574.375
Solvation:-7.92427
Coulombic:-49.6181
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.9
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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