Chemical ID: 7450472

c1cc(cc(c1)N(=O)=O)C(=C2C(N(C(=O)C2=O)CCOCCO)c3cccnc3)O
Chemical ID:
7450472
Name [?]:
1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)-methylene]-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
c1cc(cc(c1)N(=O)=O)C(=C2C(N(C(=O)C2=O)CCOCCO)c3cccnc3)O
InChi [?]:
InChI=1/C20H19N3O7/c24-8-10-30-9-7-22-17(14-4-2-6-21-12-14)16(19(26)20(22)27)18(25)13-3-1-5-15(11-13)23(28)29/h1-6,11-12,17,24-25H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,26,2,25,6,27,18,22,19,21,4,29,3,24,5,11,12,10,16,14,28,13,7,23,30,17,15,8,9,20/E:(28,29)/CRV:23.5/rA:30cCCCCCCNOOCCCNCOCOCCOCCOCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s3;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O7
All Atoms:49
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:1.47827
Area:587.82
Solvation:-13.2172
Coulombic:-81.245
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.3
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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