Chemical ID: 7515027

Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C
Chemical ID:
7515027
Name [?]:
N-(4-methyl-3-nitro-phenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-4-3-5-14(8-11)22-10-16(19)17-13-7-6-12(2)15(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,15,14,7,18,9,2,16,13,6,17,10,12,19,11,20,21,8/E:(20,21)/CRV:18.5/rA:22nCCCCCCCOCCONCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:3.82665
Area:508.157
Solvation:-8.87729
Coulombic:-40.2755
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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