Chemical ID: 7287256

Cc1cccc(c1)NC(=O)COC(=O)c2cc(ccc2NC)[N+](=O)[O-]
Chemical ID:
7287256
Name [?]:
m-tolylcarbamoylmethyl 2-methylamino-5-nitro-benzoate
SMILES [?]:
Cc1cccc(c1)NC(=O)COC(=O)c2cc(ccc2NC)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O5/c1-11-4-3-5-12(8-11)19-16(21)10-25-17(22)14-9-13(20(23)24)6-7-15(14)18-2/h3-9,18H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,18,19,7,16,11,2,6,17,15,20,9,13,21,8,23,10,14,24,25,12/E:(23,24)/CRV:20.5/rA:25nCCCCCCCNCOCOCOCCCCCCNCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s17;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O5
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.18265
Area:565.78
Solvation:-8.96185
Coulombic:-62.4185
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:343.334
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.98
LogP (Chemaxon):3.32

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Descriptor Annotations

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