Chemical ID: 6525096

COc1cccc(c1)CNC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6525096
Name [?]:
N-[(3-methoxyphenyl)methyl]-4-nitro-benzamide
SMILES [?]:
COc1cccc(c1)CNC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O4/c1-21-14-4-2-3-11(9-14)10-16-15(18)12-5-7-13(8-6-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,14,18,15,17,8,9,7,13,16,3,11,10,19,12,20,21,2/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:21nCOCCCCCCCNCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.60505
Area:499.311
Solvation:-8.87772
Coulombic:-41.2167
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:286.283
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):2.42

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