Chemical ID: 6393388

CCOc1ccc(cc1OC)C=NNC(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6393388
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]-4-nitro-benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C=NNC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O5/c1-3-25-15-9-4-12(10-16(15)24-2)11-18-19-17(21)13-5-7-14(8-6-13)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,18,22,19,21,5,8,12,7,17,20,4,9,15,13,14,23,16,24,25,10,3/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:25nCCOCCCCCCOCCNNCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:1.60212
Area:564.093
Solvation:-12.5002
Coulombic:-43.5343
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:343.334
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.75
LogP (Chemaxon):3.03

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