Chemical ID: 6400607

Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6400607
Name [?]:
N-(4-methyl-2-nitro-phenyl)-4-nitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N3O5/c1-9-2-7-12(13(8-9)17(21)22)15-14(18)10-3-5-11(6-4-10)16(19)20/h2-8H,1H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,15,19,16,18,4,7,2,14,17,5,6,12,11,20,8,13,21,22,9,10/E:(3,4)(5,6)(19,20)(21,22)/CRV:16.5,17.5/rA:22nCCCCCCCN+OO-NCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.12119
Area:486.41
Solvation:-11.0391
Coulombic:-47.5778
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:301.254
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.61
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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