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Chemical ID: 6644224

C=CCOc1ccc(cc1)C=NNC(=O)COc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

6644224

Name [?]:

N-[(4-allyloxyphenyl)methyleneamino]-2-(4-nitrophenoxy)-acetamide

SMILES [?]:

C=CCOc1ccc(cc1)C=NNC(=O)COc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H17N3O5/c1-2-11-25-16-7-3-14(4-8-16)12-19-20-18(22)13-26-17-9-5-15(6-10-17)21(23)24/h2-10,12H,1,11,13H2,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,7,9,20,22,6,10,19,23,3,11,16,8,21,5,18,14,12,13,24,15,25,26,4,17/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:21.5/rA:26nCCCOCCCCCCCNNCOCOCCCCCCN+OO-/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃O₅
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	2.31515
Area:	604.03
Solvation:	-12.7856
Coulombic:	-44.3217

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	355.345
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.97
LogP (Chemaxon):	3.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value