Chemical ID: 5612708

CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccccc2
Chemical ID:
5612708
Name [?]:
N-(4-ethoxy-2-nitro-phenyl)benzamide
SMILES [?]:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccccc2
InChi [?]:
InChI=1/C15H14N2O4/c1-2-21-12-8-9-13(14(10-12)17(19)20)16-15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,5,6,9,16,4,7,8,14,13,10,15,11,12,3/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21nCCOCCCCCCN+OO-NCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.41235
Area:479.42
Solvation:-6.57316
Coulombic:-43.3591
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.283
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.74
LogP (Chemaxon):3.15

Name Annotations

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Descriptor Annotations

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