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Chemical ID: 7484232
Chemical ID:
7484232
Name [?]:
2-benzyloxy-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
SMILES [?]:
CC(=NNC(=O)c1ccccc1OCc2ccccc2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C22H19N3O4/c1-16(18-10-7-11-19(14-18)25(27)28)23-24-22(26)20-12-5-6-13-21(20)29-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,9,10,23,16,20,22,24,8,11,26,14,2,15,21,25,7,12,5,3,4,27,6,28,29,13/E:(3,4)(8,9)(27,28)/CRV:25.5/rA:29nCCNNCOCCCCCCOCCCCCCCCCCCCCN+OO-/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3O4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.44298 |
Area: | 641.628 |
Solvation: | -11.5977 |
Coulombic: | -38.7514 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.404 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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