Chemical ID: 6401533

c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCCCNC(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6401533
Name [?]:
3-nitro-N-[4-(3-nitrobenzoyl)aminobutyl]benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCCCNC(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H18N4O6/c23-17(13-5-3-7-15(11-13)21(25)26)19-9-1-2-10-20-18(24)14-6-4-8-16(12-14)22(27)28/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:14,15,1,22,2,21,6,23,13,16,4,25,3,20,5,24,10,18,12,17,7,26,11,19,8,9,27,28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)/gE:(1,2)/CRV:21.5,22.5/rA:28nCCCCCCN+OO-CONCCCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:1.91795
Area:655.019
Solvation:-14.4575
Coulombic:-65.7041
Bond Count [?]
All:29
Single:19
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:386.359
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:2.9
LogP (Chemaxon):2.12

Name Annotations

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Descriptor Annotations

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