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Chemical ID: 7451764

COc1ccccc1C2C(=C(c3ccc(cc3)N(=O)=O)O)C(=O)C(=O)N2CCOCCO

Chemical ID:

7451764

Name [?]:

1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(4-nitrophenyl)-methylene]-5-(2-methoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

COc1ccccc1C2C(=C(c3ccc(cc3)N(=O)=O)O)C(=O)C(=O)N2CCOCCO

InChi [?]:

InChI=1/C22H22N2O8/c1-31-17-5-3-2-4-16(17)19-18(20(26)14-6-8-15(9-7-14)24(29)30)21(27)22(28)23(19)10-12-32-13-11-25/h2-9,19,25-26H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,5,7,4,13,17,14,16,27,31,28,30,12,15,8,3,10,9,11,22,24,26,18,32,21,23,25,19,20,2,29/E:(6,7)(8,9)(29,30)/CRV:24.5/rA:32cCOCCCCCCCCCCCCCCCNOOOCOCONCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s11;s10;d22;s22;d24;s9s24;s26;s27;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₂O₈
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	3.00651
Area:	608.778
Solvation:	-12.2129
Coulombic:	-86.1923

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.46
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

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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