Chemical ID: 5685045

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2OC(=O)c3ccc(cc3)N(=O)=O)OC
Chemical ID:
5685045
Name [?]:
[5-methoxy-2-[3-(p-tolyl)prop-2-enoyl]phenyl] 4-nitrobenzoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2OC(=O)c3ccc(cc3)N(=O)=O)OC
InChi [?]:
InChI=1/C24H19NO6/c1-16-3-5-17(6-4-16)7-14-22(26)21-13-12-20(30-2)15-23(21)31-24(27)18-8-10-19(11-9-18)25(28)29/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,3,7,4,6,8,22,26,23,25,14,13,9,16,2,5,21,24,15,12,10,17,19,27,11,20,28,29,30,18/E:(3,4)(5,6)(8,9)(10,11)(28,29)/CRV:25.5/rA:31nCCCCCCCCCCOCCCCCCOCOCCCCCCNOOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;d27;d27;s15;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:5.69609
Area:627.504
Solvation:-9.9915
Coulombic:-47.4807
Bond Count [?]
All:33
Single:19
Double:14
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:417.411
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.59
LogP (Chemaxon):5.41

Name Annotations

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Descriptor Annotations

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