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Chemical ID: 7484232

CC(=NNC(=O)c1ccccc1OCc2ccccc2)c3cccc(c3)[N+](=O)[O-]

Chemical ID:

7484232

Name [?]:

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

SMILES [?]:

CC(=NNC(=O)c1ccccc1OCc2ccccc2)c3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C22H19N3O4/c1-16(18-10-7-11-19(14-18)25(27)28)23-24-22(26)20-12-5-6-13-21(20)29-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,18,17,19,9,10,23,16,20,22,24,8,11,26,14,2,15,21,25,7,12,5,3,4,27,6,28,29,13/E:(3,4)(8,9)(27,28)/CRV:25.5/rA:29nCCNNCOCCCCCCOCCCCCCCCCCCCCN+OO-/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₄
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	4.44298
Area:	641.628
Solvation:	-11.5977
Coulombic:	-38.7514

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	389.404
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.53
LogP (Chemaxon):	4.35

Name Annotations

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

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