Chemical ID: 6561138

Cc1ccc(c(c1)C)NC(=O)COC(=O)C=Cc2ccccc2[N+](=O)[O-]
Chemical ID:
6561138
Name [?]:
(2,4-dimethylphenyl)carbamoylmethyl 3-(2-nitrophenyl)prop-2-enoate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COC(=O)C=Cc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C19H18N2O5/c1-13-7-9-16(14(2)11-13)20-18(22)12-26-19(23)10-8-15-5-3-4-6-17(15)21(24)25/h3-11H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,20,21,19,22,3,17,4,16,7,12,2,6,18,5,23,10,14,9,24,11,15,25,26,13/E:(24,25)/CRV:21.5/rA:26nCCCCCCCCNCOCOCOCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.25009
Area:570.889
Solvation:-8.02215
Coulombic:-53.8411
Bond Count [?]
All:27
Single:17
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:354.357
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.4
LogP (Chemaxon):3.5

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Descriptor Annotations

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