Chemical ID: 6875979

Cc1c(cccc1[N+](=O)[O-])C(=O)OCC(=O)Nc2ccc(cc2)OC
Chemical ID:
6875979
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 2-methyl-3-nitro-benzoate
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])C(=O)OCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H16N2O6/c1-11-14(4-3-5-15(11)19(22)23)17(21)25-10-16(20)18-12-6-8-13(24-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,25,5,4,6,19,23,20,22,14,2,18,21,3,7,15,11,17,8,16,12,9,10,24,13/E:(6,7)(8,9)(22,23)/CRV:19.5/rA:25nCCCCCCCN+OO-COOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O6
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.23861
Area:553.704
Solvation:-9.60398
Coulombic:-58.7017
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:344.319
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.61
LogP (Chemaxon):2.84

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