Chemical ID: 7367597

CNc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC=C
Chemical ID:
7367597
Name [?]:
allylcarbamoylcarbamoylmethyl 4-methylamino-3-nitro-benzoate
SMILES [?]:
CNc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCC=C
InChi [?]:
InChI=1/C14H16N4O6/c1-3-6-16-14(21)17-12(19)8-24-13(20)9-4-5-10(15-2)11(7-9)18(22)23/h3-5,7,15H,1,6,8H2,2H3,(H2,16,17,19,21)
InChi Info:
AuxInfo=1/1/N:24,1,23,5,4,22,7,15,6,3,8,16,12,19,2,21,18,9,17,13,20,10,11,14/E:(22,23)/CRV:18.5/rA:24nCNCCCCCCN+OO-COOCCONCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;d12;s12;s14;s15;d16;s16;s18;d19;s19;s21;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O6
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.95987
Area:571.88
Solvation:-10.3371
Coulombic:-85.3631
Bond Count [?]
All:24
Single:16
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:336.3
H-Bond Donors:3
H-Bond Acceptors:10
XLogP:1.89
LogP (Chemaxon):1.16

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