Chemical ID: 5818141

Cc1ccc(cc1)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC
Chemical ID:
5818141
Name [?]:
N-(4-methoxy-2-nitro-phenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(cc2[N+](=O)[O-])OC
InChi [?]:
InChI=1/C15H14N2O4/c1-10-3-5-11(6-4-10)15(18)16-13-8-7-12(21-2)9-14(13)17(19)20/h3-9H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,4,6,13,12,15,2,5,14,11,16,8,10,17,9,18,19,20/E:(3,4)(5,6)(19,20)/CRV:17.5/rA:21nCCCCCCCCONCCCCCCN+OO-OC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.03701
Area:473.223
Solvation:-6.79357
Coulombic:-42.5052
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.283
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.76
LogP (Chemaxon):3.27

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Descriptor Annotations

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