Chemical ID: 6876060

CCOc1ccc(cc1)NC(=O)COC(=O)c2cccc(c2C)[N+](=O)[O-]
Chemical ID:
6876060
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 2-methyl-3-nitro-benzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)c2cccc(c2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H18N2O6/c1-3-25-14-9-7-13(8-10-14)19-17(21)11-26-18(22)15-5-4-6-16(12(15)2)20(23)24/h4-10H,3,11H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,19,18,20,6,8,5,9,13,22,7,4,17,21,11,15,10,24,12,16,25,26,3,14/E:(7,8)(9,10)(23,24)/CRV:20.5/rA:26nCCOCCCCCCNCOCOCOCCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O6
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.02842
Area:581.294
Solvation:-9.50392
Coulombic:-59.0107
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:358.345
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.03
LogP (Chemaxon):3.19

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Descriptor Annotations

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