Chemical ID: 6876040

CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6876040
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 4-nitrobenzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H16N2O6/c1-2-24-15-9-5-13(6-10-15)18-16(20)11-25-17(21)12-3-7-14(8-4-12)19(22)23/h3-10H,2,11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,6,8,19,21,5,9,13,17,7,20,4,11,15,10,23,12,16,24,25,3,14/E:(3,4)(5,6)(7,8)(9,10)(22,23)/CRV:19.5/rA:25nCCOCCCCCCNCOCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O6
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.45344
Area:578.255
Solvation:-10.0029
Coulombic:-58.666
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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