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Chemical ID: 6645840

CC(C(=O)NN=Cc1ccc(cc1)OCC=C)Oc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

6645840

Name [?]:

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

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCC=C)Oc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H19N3O5/c1-3-12-26-17-8-4-15(5-9-17)13-20-21-19(23)14(2)27-18-10-6-16(7-11-18)22(24)25/h3-11,13-14H,1,12H2,2H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:17,1,16,9,13,21,23,10,12,20,24,15,7,2,8,22,11,19,3,6,5,25,4,26,27,14,18/E:(4,5)(6,7)(8,9)(10,11)(24,25)/CRV:22.5/rA:27cCCCONNCCCCCCCOCCCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s2;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₅
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	3.5981
Area:	621.354
Solvation:	-11.9358
Coulombic:	-45.9798

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	369.371
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.5
LogP (Chemaxon):	4.0

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