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Chemical ID: 5383051

CC(=NNC(=O)c1ccccc1OCCOc2ccccc2)c3cccc(c3)[N+](=O)[O-]

Chemical ID:

5383051

Name [?]:

N-[1-(3-nitrophenyl)ethylideneamino]-2-(2-phenoxyethoxy)benzamide

SMILES [?]:

CC(=NNC(=O)c1ccccc1OCCOc2ccccc2)c3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C23H21N3O5/c1-17(18-8-7-9-19(16-18)26(28)29)24-25-23(27)21-12-5-6-13-22(21)31-15-14-30-20-10-3-2-4-11-20/h2-13,16H,14-15H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,9,10,25,24,26,18,22,8,11,15,14,28,2,23,27,17,7,12,5,3,4,29,6,30,31,16,13/E:(3,4)(10,11)(28,29)/CRV:26.5/rA:31nCCNNCOCCCCCCOCCOCCCCCCCCCCCCN+OO-/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s2;s23;d24;s25;d26;d23s27;s27;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁N₃O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	3.73259
Area:	683.687
Solvation:	-13.3596
Coulombic:	-44.8435

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	419.43
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.28
LogP (Chemaxon):	4.19

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

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Chemical Mix	Source	External ID	Descriptor	Value