Chemical ID: 6644191

CC(C(=O)NN=Cc1cccc(c1O)OC)Oc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6644191
Name [?]:
N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]-2-(4-nitrophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1O)OC)Oc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O6/c1-11(26-14-8-6-13(7-9-14)20(23)24)17(22)19-18-10-12-4-3-5-15(25-2)16(12)21/h3-11,21H,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,16,10,9,11,20,22,19,23,7,2,8,21,18,12,13,3,6,5,24,14,4,25,26,15,17/E:(6,7)(8,9)(23,24)/CRV:20.5/rA:26cCCCONNCCCCCCCOOCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s12;s15;s2;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:1.33927
Area:581.187
Solvation:-13.1904
Coulombic:-59.5247
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:359.333
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.48
LogP (Chemaxon):2.97

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