Chemical ID: 6969386

Cc1cc(ccc1NC(=O)COc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6969386
Name [?]:
N-(2-methyl-4-nitro-phenyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13N3O6/c1-10-8-12(18(22)23)4-7-14(10)16-15(19)9-24-13-5-2-11(3-6-13)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,15,17,5,14,18,6,3,11,2,16,4,13,7,9,8,19,22,10,20,21,23,24,12/E:(2,3)(5,6)(20,21)(22,23)/CRV:17.5,18.5/rA:24nCCCCCCCNCOCOCCCCCCN+OO-N+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s4;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O6
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-1.92236
Area:541.091
Solvation:-15.4496
Coulombic:-49.0041
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.28
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.44
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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