Chemical ID: 6987623

CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6987623
Name [?]:
2-(2-isopropylphenoxy)-N-[(4-nitrophenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H19N3O4/c1-13(2)16-5-3-4-6-17(16)25-12-18(22)20-19-11-14-7-9-15(10-8-14)21(23)24/h3-11,13H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,18,22,19,21,16,11,2,17,20,4,9,12,15,14,23,13,24,25,10/E:(1,2)(7,8)(9,10)(23,24)/CRV:21.5/rA:25nCCCCCCCCCOCCONNCCCCCCCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O4
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.07472
Area:590.88
Solvation:-10.6973
Coulombic:-38.3919
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:341.361
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.64
LogP (Chemaxon):4.16

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