Chemical ID: 6869545

c1ccc(cc1)NC(=O)COC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6869545
Name [?]:
phenylcarbamoylmethyl 3-nitrobenzoate
SMILES [?]:
c1ccc(cc1)NC(=O)COC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12N2O5/c18-14(16-12-6-2-1-3-7-12)10-22-15(19)11-5-4-8-13(9-11)17(20)21/h1-9H,10H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,3,5,17,19,10,14,4,18,8,12,7,20,9,13,21,22,11/E:(2,3)(6,7)(20,21)/CRV:17.5/rA:22nCCCCCCNCOCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O5
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.96652
Area:513.018
Solvation:-8.85892
Coulombic:-51.891
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.266
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.47
LogP (Chemaxon):2.63

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