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Chemical ID: 6969387

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

6969387

Name [?]:

propyl 4-[2-(4-nitrophenoxy)acetyl]aminobenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C18H18N2O6/c1-2-11-25-18(22)13-3-5-14(6-4-13)19-17(21)12-26-16-9-7-15(8-10-16)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,8,12,9,11,20,22,19,23,3,16,7,10,21,18,14,5,13,24,15,6,25,26,4,17/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:20.5/rA:26nCCCOCOCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₆
All Atoms:	44
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	4.39149
Area:	606.52
Solvation:	-10.7715
Coulombic:	-58.3975

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	358.345
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.16
LogP (Chemaxon):	3.19

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

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

Chemical Mix	Source	External ID	Descriptor	Value