Chemical ID: 6860416

CCOc1ccccc1NC(=O)COC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6860416
Name [?]:
(2-ethoxyphenyl)carbamoylmethyl 3-nitrobenzoate
SMILES [?]:
CCOc1ccccc1NC(=O)COC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H16N2O6/c1-2-24-15-9-4-3-8-14(15)18-16(20)11-25-17(21)12-6-5-7-13(10-12)19(22)23/h3-10H,2,11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,19,18,20,8,5,22,13,17,21,9,4,11,15,10,23,12,16,24,25,3,14/E:(22,23)/CRV:19.5/rA:25nCCOCCCCCCNCOCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O6
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.78155
Area:575.723
Solvation:-9.61153
Coulombic:-59.6504
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:344.319
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.8
LogP (Chemaxon):2.72

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Descriptor Annotations

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