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Chemical ID: 6456684

CC(C(=O)NN=Cc1ccc(cc1)[N+](=O)[O-])Oc2ccccc2[N+](=O)[O-]

Chemical ID:

6456684

Name [?]:

2-(2-nitrophenoxy)-N-[(4-nitrophenyl)methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)[N+](=O)[O-])Oc2ccccc2[N+](=O)[O-]

InChi [?]:

InChI=1/C16H14N4O6/c1-11(26-15-5-3-2-4-14(15)20(24)25)16(21)18-17-10-12-6-8-13(9-7-12)19(22)23/h2-11H,1H3,(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,9,13,10,12,7,2,8,11,23,18,3,6,5,14,24,4,15,16,25,26,17/E:(6,7)(8,9)(22,23)(24,25)/CRV:19.5,20.5/rA:26cCCCONNCCCCCCCN+OO-OCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s2;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₄O₆
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	-5.0976
Area:	564.842
Solvation:	-19.2186
Coulombic:	-45.7805

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	358.306
H-Bond Donors:	1
H-Bond Acceptors:	10
XLogP:	3.74
LogP (Chemaxon):	3.46

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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