Chemical ID: 6942917

COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2C#N
Chemical ID:
6942917
Name [?]:
N-(2-cyanophenyl)-4-methoxy-3-nitro-benzamide
SMILES [?]:
COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C15H11N3O4/c1-22-14-7-6-10(8-13(14)18(20)21)15(19)17-12-5-3-2-4-11(12)9-16/h2-8H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,5,4,7,21,6,20,15,8,3,12,22,14,9,13,10,11,2/E:(20,21)/CRV:18.5/rA:22nCOCCCCCCN+OO-CONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O4
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.71568
Area:494.729
Solvation:-10.6525
Coulombic:-41.2909
Bond Count [?]
All:23
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.266
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.83
LogP (Chemaxon):2.62

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Descriptor Annotations

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