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Chemical ID: 5529879

CCOc1ccccc1OCC(=O)NN=Cc2cc(c(c(c2)OC)O)[N+](=O)[O-]

Chemical ID:

5529879

Name [?]:

2-(2-ethoxyphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide

SMILES [?]:

CCOc1ccccc1OCC(=O)NN=Cc2cc(c(c(c2)OC)O)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H19N3O7/c1-3-27-14-6-4-5-7-15(14)28-11-17(22)20-19-10-12-8-13(21(24)25)18(23)16(9-12)26-2/h4-10,23H,3,11H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,24,2,6,7,5,8,18,22,16,11,17,19,4,9,21,12,20,15,14,26,13,25,27,28,23,3,10/E:(24,25)/CRV:21.5/rA:28nCCOCCCCCCOCCONNCCCCCCCOCON+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s19;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₇
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.76424
Area:	603.062
Solvation:	-16.8408
Coulombic:	-62.9722

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	389.359
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	3.67
LogP (Chemaxon):	2.52

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