Chemical ID: 5794072

Cc1cccc(c1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-])C
Chemical ID:
5794072
Name [?]:
2-(2,6-dimethylphenoxy)-N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H17N3O5/c1-11-4-3-5-12(2)17(11)25-10-16(22)19-18-9-13-6-7-14(20(23)24)15(21)8-13/h3-9,21H,10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,16,17,20,14,9,2,6,15,18,19,10,7,13,12,22,21,11,23,24,8/E:(1,2)(4,5)(11,12)(23,24)/CRV:20.5/rA:25nCCCCCCCOCCONNCCCCCCCON+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:1.20173
Area:561.693
Solvation:-12.8406
Coulombic:-51.4691
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:343.334
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.13
LogP (Chemaxon):3.62

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