Chemical ID: 6875956

COc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6875956
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 4-nitrobenzoate
SMILES [?]:
COc1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H14N2O6/c1-23-14-8-4-12(5-9-14)17-15(19)10-24-16(20)11-2-6-13(7-3-11)18(21)22/h2-9H,10H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,12,16,6,19,3,10,14,9,22,11,15,23,24,2,13/E:(2,3)(4,5)(6,7)(8,9)(21,22)/CRV:18.5/rA:24nCOCCCCCCNCOCOCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O6
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.63586
Area:551.424
Solvation:-10.1497
Coulombic:-58.4
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:330.292
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.38
LogP (Chemaxon):2.38

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