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Chemical ID: 7704000

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

7704000

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C25H23N3O8/c1-3-34-23-14-17(4-13-22(23)36-25(30)18-5-9-20(33-2)10-6-18)15-26-27-24(29)16-35-21-11-7-19(8-12-21)28(31)32/h4-15H,3,16H2,1-2H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,20,2,7,14,18,30,32,15,17,29,33,8,5,21,26,6,13,31,16,28,9,4,24,11,22,23,34,25,12,35,36,19,3,27,10/E:(5,6)(7,8)(9,10)(11,12)(31,32)/CRV:28.5/rA:36nCCOCCCCCCOCOCCCCCCOCCNNCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s31;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃N₃O₈
All Atoms:	59
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	4.36512
Area:	783.096
Solvation:	-15.2123
Coulombic:	-69.658

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	13
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.93
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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