Chemical ID: 6935961

CCOC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])C
Chemical ID:
6935961
Name [?]:
ethyl 3-(4-methyl-3-nitro-benzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H16N2O5/c1-3-24-17(21)13-5-4-6-14(9-13)18-16(20)12-8-7-11(2)15(10-12)19(22)23/h4-10H,3H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,24,2,8,7,9,17,16,11,20,18,15,6,10,19,13,4,12,21,14,5,22,23,3/E:(22,23)/CRV:19.5/rA:24nCCOCOCCCCCCNCOCCCCCCN+OO-C/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O5
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.65987
Area:545.712
Solvation:-7.98293
Coulombic:-52.9295
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:328.319
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.35
LogP (Chemaxon):3.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue