Chemical ID: 6400786

CC(C)(C)C(=O)Nc1ccc(cc1OC)[N+](=O)[O-]
Chemical ID:
6400786
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O4/c1-12(2,3)11(15)13-9-6-5-8(14(16)17)7-10(9)18-4/h5-7H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,10,9,12,11,8,13,5,2,7,16,6,17,18,14/E:(1,2,3)(16,17)/CRV:14.5/rA:18nCCCCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.54779
Area:439.162
Solvation:-7.43125
Coulombic:-39.4224
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:252.267
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.71
LogP (Chemaxon):2.93

Name Annotations

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Descriptor Annotations

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