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Chemical ID: 7451764
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
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Experimental Annotations
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Descriptor Annotations
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