Chemical ID: 7370556

CNc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCCOC
Chemical ID:
7370556
Name [?]:
3-methoxypropylcarbamoylcarbamoylmethyl 4-methylamino-3-nitro-benzoate
SMILES [?]:
CNc1ccc(cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCCOC
InChi [?]:
InChI=1/C15H20N4O7/c1-16-11-5-4-10(8-12(11)19(23)24)14(21)26-9-13(20)18-15(22)17-6-3-7-25-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,17,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,26,23,5,4,22,24,7,15,6,3,8,16,12,19,2,21,18,9,17,13,20,10,11,25,14/E:(23,24)/CRV:19.5/rA:26nCNCCCCCCN+OO-COOCCONCONCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;d12;s12;s14;s15;d16;s16;s18;d19;s19;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N4O7
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.65042
Area:624.273
Solvation:-11.9564
Coulombic:-91.1436
Bond Count [?]
All:26
Single:19
Double:7
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:368.342
H-Bond Donors:3
H-Bond Acceptors:11
XLogP:1.45
LogP (Chemaxon):0.31

Name Annotations

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Descriptor Annotations

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